Home Other Building Blocks {5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}methanol

{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}methanol

CAS No.:
1259056-53-5
Catalog Number:
AG01B63R
Molecular Formula:
C6H9N3O
Molecular Weight:
139.1552
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Product Description
Catalog Number:
AG01B63R
Chemical Name:
{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}methanol
CAS Number:
1259056-53-5
Molecular Formula:
C6H9N3O
Molecular Weight:
139.1552
MDL Number:
MFCD18089093
IUPAC Name:
6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanol
InChI:
InChI=1S/C6H9N3O/c10-4-6-8-7-5-2-1-3-9(5)6/h10H,1-4H2
InChI Key:
SMLUMNDDAXMDJJ-UHFFFAOYSA-N
SMILES:
OCc1nnc2n1CCC2
Properties
Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.075g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
139.158g/mol
Monoisotopic Mass:
139.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
Properties