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

C7H12N4O — CID 56979772

IUPACN,N-dimethyl-3-(2H-triazol-4-yl)propanamide
SMILESCN(C)C(=O)CCc1cn[nH]n1
InChIInChI=1S/C7H12N4O/c1-11(2)7(12)4-3-6-5-8-10-9-6/h5H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyKXCJDFPFAHKKBS-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.17
Rot. Bonds3

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

N,N-dimethyl-3-(2H-triazol-4-yl)propanamide (PubChem CID 56979772) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N,N-dimethyl-3-(2H-triazol-4-yl)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(2H-triazol-4-yl)propanamide
PubChem CID56979772
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN,N-dimethyl-3-(2H-triazol-4-yl)propanamide
SMILESCN(C)C(=O)CCc1cn[nH]n1
InChIInChI=1S/C7H12N4O/c1-11(2)7(12)4-3-6-5-8-10-9-6/h5H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyKXCJDFPFAHKKBS-UHFFFAOYSA-N
XLogP-0.17
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2H-triazol-4-yl)propanamide?
The IUPAC name of N,N-dimethyl-3-(2H-triazol-4-yl)propanamide (CID 56979772) is N,N-dimethyl-3-(2H-triazol-4-yl)propanamide.
What is the SMILES notation for N,N-dimethyl-3-(2H-triazol-4-yl)propanamide?
The canonical SMILES for N,N-dimethyl-3-(2H-triazol-4-yl)propanamide is CN(C)C(=O)CCc1cn[nH]n1.
What is the InChIKey of N,N-dimethyl-3-(2H-triazol-4-yl)propanamide?
The InChIKey is KXCJDFPFAHKKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-11(2)7(12)4-3-6-5-8-10-9-6/h5H,3-4H2,1-2H3,(H,8,9,10).
What are the key properties of N,N-dimethyl-3-(2H-triazol-4-yl)propanamide?
N,N-dimethyl-3-(2H-triazol-4-yl)propanamide has a molecular weight of 168.20 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2H-triazol-4-yl)propanamide is sourced from PubChem (CID 56979772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).