Home Other Building Blocks 2-(3-propyl-1H-1,2,4-triazol-5-yl)morpholine

2-(3-propyl-1H-1,2,4-triazol-5-yl)morpholine

CAS No.:
1250167-09-9
Catalog Number:
AG019SLS
Molecular Formula:
C9H16N4O
Molecular Weight:
196.2495
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Product Description
Catalog Number:
AG019SLS
Chemical Name:
2-(3-propyl-1H-1,2,4-triazol-5-yl)morpholine
CAS Number:
1250167-09-9
Molecular Formula:
C9H16N4O
Molecular Weight:
196.2495
MDL Number:
MFCD22370004
IUPAC Name:
2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine
InChI:
InChI=1S/C9H16N4O/c1-2-3-8-11-9(13-12-8)7-6-10-4-5-14-7/h7,10H,2-6H2,1H3,(H,11,12,13)
InChI Key:
DXQSILJDFCMEOL-UHFFFAOYSA-N
SMILES:
CCCc1nc([nH]n1)C1CNCCO1
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.132g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
196.254g/mol
Monoisotopic Mass:
196.132g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties