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

C7H12N4O — CID 4551009

IUPAC2,2-dimethyl-N-(1,2,4-triazol-4-yl)propanamide
SMILESCC(C)(C)C(=O)Nn1cnnc1
InChIInChI=1S/C7H12N4O/c1-7(2,3)6(12)10-11-4-8-9-5-11/h4-5H,1-3H3,(H,10,12)
InChIKeyGZWNBYUCJUYXTA-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.39
Rot. Bonds1

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

2,2-dimethyl-N-(1,2,4-triazol-4-yl)propanamide (PubChem CID 4551009) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1,2,4-triazol-4-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1,2,4-triazol-4-yl)propanamide
PubChem CID4551009
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2,2-dimethyl-N-(1,2,4-triazol-4-yl)propanamide
SMILESCC(C)(C)C(=O)Nn1cnnc1
InChIInChI=1S/C7H12N4O/c1-7(2,3)6(12)10-11-4-8-9-5-11/h4-5H,1-3H3,(H,10,12)
InChIKeyGZWNBYUCJUYXTA-UHFFFAOYSA-N
XLogP0.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1,2,4-triazol-4-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(1,2,4-triazol-4-yl)propanamide (CID 4551009) is 2,2-dimethyl-N-(1,2,4-triazol-4-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1,2,4-triazol-4-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1,2,4-triazol-4-yl)propanamide is CC(C)(C)C(=O)Nn1cnnc1.
What is the InChIKey of 2,2-dimethyl-N-(1,2,4-triazol-4-yl)propanamide?
The InChIKey is GZWNBYUCJUYXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-7(2,3)6(12)10-11-4-8-9-5-11/h4-5H,1-3H3,(H,10,12).
What are the key properties of 2,2-dimethyl-N-(1,2,4-triazol-4-yl)propanamide?
2,2-dimethyl-N-(1,2,4-triazol-4-yl)propanamide has a molecular weight of 168.20 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1,2,4-triazol-4-yl)propanamide is sourced from PubChem (CID 4551009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).