2-[(4-propyl-1,2,4-triazol-3-yl)methylamino]-N-pyrazin-2-ylacetamide

C12H17N7O — CID 50983152

IUPAC2-[(4-propyl-1,2,4-triazol-3-yl)methylamino]-N-pyrazin-2-ylacetamide
SMILESCCCn1cnnc1CNCC(=O)Nc1cnccn1
InChIInChI=1S/C12H17N7O/c1-2-5-19-9-16-18-11(19)7-14-8-12(20)17-10-6-13-3-4-15-10/h3-4,6,9,14H,2,5,7-8H2,1H3,(H,15,17,20)
InChIKeyGEQCYGHYAHSINO-UHFFFAOYSA-N
MW275.32 g/mol
LogP0.21
Rot. Bonds7

About 2-[(4-propyl-1,2,4-triazol-3-yl)methylamino]-N-pyrazin-2-ylacetamide

2-[(4-propyl-1,2,4-triazol-3-yl)methylamino]-N-pyrazin-2-ylacetamide (PubChem CID 50983152) has the molecular formula C12H17N7O and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-[(4-propyl-1,2,4-triazol-3-yl)methylamino]-N-pyrazin-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-propyl-1,2,4-triazol-3-yl)methylamino]-N-pyrazin-2-ylacetamide
PubChem CID50983152
Molecular FormulaC12H17N7O
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Name2-[(4-propyl-1,2,4-triazol-3-yl)methylamino]-N-pyrazin-2-ylacetamide
SMILESCCCn1cnnc1CNCC(=O)Nc1cnccn1
InChIInChI=1S/C12H17N7O/c1-2-5-19-9-16-18-11(19)7-14-8-12(20)17-10-6-13-3-4-15-10/h3-4,6,9,14H,2,5,7-8H2,1H3,(H,15,17,20)
InChIKeyGEQCYGHYAHSINO-UHFFFAOYSA-N
XLogP0.21
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-Pyrazin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 71897680
N-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-2-(2-isopropyl-1H-imidazol-1-yl)propanamide
CID 72860398
N-[2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-2-(2-isopropyl-1H-imidazol-1-yl)propanamide
CID 72922086
2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide
CID 75369810
N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 164633277
2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide
CID 25849798
N-propyl-2-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)piperidin-1-yl]acetamide
CID 72131399
[2-(4-{4-ethyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-piperidinyl)-2-oxoethyl]methylamine dihydrochloride
CID 72915915
1H-1,2,3,4-Tetrazole-1-propanamide, N-(2-pyrazinyl)-
CID 91692600
N-[5-(dimethylamino)pyrazin-2-yl]-2H-tetrazole-5-carboxamide
CID 20310353
2-(2-Methylimidazol-1-yl)-1-piperazin-1-ylethanone
CID 24699544
2-(4-aminoimidazol-1-yl)-2-methyl-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 68465681

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propyl-1,2,4-triazol-3-yl)methylamino]-N-pyrazin-2-ylacetamide?
The IUPAC name of 2-[(4-propyl-1,2,4-triazol-3-yl)methylamino]-N-pyrazin-2-ylacetamide (CID 50983152) is 2-[(4-propyl-1,2,4-triazol-3-yl)methylamino]-N-pyrazin-2-ylacetamide.
What is the SMILES notation for 2-[(4-propyl-1,2,4-triazol-3-yl)methylamino]-N-pyrazin-2-ylacetamide?
The canonical SMILES for 2-[(4-propyl-1,2,4-triazol-3-yl)methylamino]-N-pyrazin-2-ylacetamide is CCCn1cnnc1CNCC(=O)Nc1cnccn1.
What is the InChIKey of 2-[(4-propyl-1,2,4-triazol-3-yl)methylamino]-N-pyrazin-2-ylacetamide?
The InChIKey is GEQCYGHYAHSINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O/c1-2-5-19-9-16-18-11(19)7-14-8-12(20)17-10-6-13-3-4-15-10/h3-4,6,9,14H,2,5,7-8H2,1H3,(H,15,17,20).
What are the key properties of 2-[(4-propyl-1,2,4-triazol-3-yl)methylamino]-N-pyrazin-2-ylacetamide?
2-[(4-propyl-1,2,4-triazol-3-yl)methylamino]-N-pyrazin-2-ylacetamide has a molecular weight of 275.32 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propyl-1,2,4-triazol-3-yl)methylamino]-N-pyrazin-2-ylacetamide is sourced from PubChem (CID 50983152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).