N-(3,5-dimethyl-1,2,4-triazol-4-yl)propanamide

C7H12N4O — CID 657448

IUPACN-(3,5-dimethyl-1,2,4-triazol-4-yl)propanamide
SMILESCCC(=O)Nn1c(C)nnc1C
InChIInChI=1S/C7H12N4O/c1-4-7(12)10-11-5(2)8-9-6(11)3/h4H2,1-3H3,(H,10,12)
InChIKeyJCZGMYLPCLSUJG-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.38
Rot. Bonds2

About N-(3,5-dimethyl-1,2,4-triazol-4-yl)propanamide

N-(3,5-dimethyl-1,2,4-triazol-4-yl)propanamide (PubChem CID 657448) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2,4-triazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2,4-triazol-4-yl)propanamide
PubChem CID657448
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN-(3,5-dimethyl-1,2,4-triazol-4-yl)propanamide
SMILESCCC(=O)Nn1c(C)nnc1C
InChIInChI=1S/C7H12N4O/c1-4-7(12)10-11-5(2)8-9-6(11)3/h4H2,1-3H3,(H,10,12)
InChIKeyJCZGMYLPCLSUJG-UHFFFAOYSA-N
XLogP0.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2,4-triazol-4-yl)propanamide?
The IUPAC name of N-(3,5-dimethyl-1,2,4-triazol-4-yl)propanamide (CID 657448) is N-(3,5-dimethyl-1,2,4-triazol-4-yl)propanamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2,4-triazol-4-yl)propanamide?
The canonical SMILES for N-(3,5-dimethyl-1,2,4-triazol-4-yl)propanamide is CCC(=O)Nn1c(C)nnc1C.
What is the InChIKey of N-(3,5-dimethyl-1,2,4-triazol-4-yl)propanamide?
The InChIKey is JCZGMYLPCLSUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-4-7(12)10-11-5(2)8-9-6(11)3/h4H2,1-3H3,(H,10,12).
What are the key properties of N-(3,5-dimethyl-1,2,4-triazol-4-yl)propanamide?
N-(3,5-dimethyl-1,2,4-triazol-4-yl)propanamide has a molecular weight of 168.20 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2,4-triazol-4-yl)propanamide is sourced from PubChem (CID 657448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).