Name: Name:1-tert-butyl-4,5-dihydro-1H-1,2,4-triazol-5-one
Brand: Angene
SKU: AG01A48Q
Rating: 90 (10 reviews)

1-tert-butyl-4,5-dihydro-1H-1,2,4-triazol-5-one

CAS No.:

1432682-15-9

Catalog Number:

AG01A48Q

Molecular Formula:

C6H11N3O

Molecular Weight:

141.1710

Catalog Number:

AG01A48Q

Chemical Name:

1-tert-butyl-4,5-dihydro-1H-1,2,4-triazol-5-one

CAS Number:

1432682-15-9

Molecular Formula:

C6H11N3O

Molecular Weight:

141.1710

MDL Number:

MFCD24369102

IUPAC Name:

2-tert-butyl-4H-1,2,4-triazol-3-one

InChI:

InChI=1S/C6H11N3O/c1-6(2,3)9-5(10)7-4-8-9/h4H,1-3H3,(H,7,8,10)

InChI Key:

WWGWIEDOVSRZPU-UHFFFAOYSA-N

SMILES:

CC(n1nc[nH]c1=O)(C)C

Complexity:

180

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

141.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

141.174g/mol

Monoisotopic Mass:

141.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4