2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide

C7H12N4O — CID 19171438

IUPAC2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C7H12N4O/c1-7(2,3)5(12)10-6-8-4-9-11-6/h4H,1-3H3,(H2,8,9,10,11,12)
InChIKeySGMIAXRIBCAZOQ-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.79
Rot. Bonds1

About 2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide

2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 19171438) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID19171438
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C7H12N4O/c1-7(2,3)5(12)10-6-8-4-9-11-6/h4H,1-3H3,(H2,8,9,10,11,12)
InChIKeySGMIAXRIBCAZOQ-UHFFFAOYSA-N
XLogP0.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-1H-1,2,4-Triazol-5-ylacetamide
CID 266439
2,2,3,3-tetrafluoro-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 3094068
N-(1H-1,2,4-triazol-3-yl)-2,2-bis(trifluoromethyl)butanamide
CID 658670
2,2-Dichloro-1-methyl-N-(1H-1,2,4-triazol-3-yl)cyclopropanecarboxamide
CID 560224
N-(4H-1,2,4-Triazol-3-YL)pentanamide
CID 19171439
N-(4H-1,2,4-triazol-3-yl)cyclobutanecarboxamide
CID 53015132
N-(4H-1,2,4-triazol-3-yl)cyclopropanecarboxamide
CID 53015133
3,3-difluoro-2,2-dimethyl-N-(1-methyl-1,2,4-triazol-3-yl)propanamide
CID 126792636
3,3-difluoro-2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 132970373
2-methyl-N-(1H-1,2,4-triazol-5-yl)prop-2-enamide
CID 13575655
N-(1h-1,2,4-triazol-5-yl)cyano-acetamide
CID 82667977
3,3,3-trifluoro-N-1H-1,2,4-triazol-3-yl-2-(trifluoromethyl)propanamide
CID 30448738

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 19171438) is 2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide is CC(C)(C)C(=O)Nc1ncn[nH]1.
What is the InChIKey of 2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is SGMIAXRIBCAZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-7(2,3)5(12)10-6-8-4-9-11-6/h4H,1-3H3,(H2,8,9,10,11,12).
What are the key properties of 2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 168.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 19171438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).