1-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-2-carbonitrile

C10H14N6O — CID 79085271

IUPAC1-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-2-carbonitrile
SMILESN#CC1CNCCN1C(=O)CCn1cncn1
InChIInChI=1S/C10H14N6O/c11-5-9-6-12-2-4-16(9)10(17)1-3-15-8-13-7-14-15/h7-9,12H,1-4,6H2
InChIKeyCENBERLLZPCMRW-UHFFFAOYSA-N
MW234.26 g/mol
LogP-1.01
Rot. Bonds3

About 1-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-2-carbonitrile

1-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-2-carbonitrile (PubChem CID 79085271) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-2-carbonitrile
PubChem CID79085271
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name1-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-2-carbonitrile
SMILESN#CC1CNCCN1C(=O)CCn1cncn1
InChIInChI=1S/C10H14N6O/c11-5-9-6-12-2-4-16(9)10(17)1-3-15-8-13-7-14-15/h7-9,12H,1-4,6H2
InChIKeyCENBERLLZPCMRW-UHFFFAOYSA-N
XLogP-1.01
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 45893430
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71898049
N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 42947749
N-pentan-3-yl-3-(1,2,4-triazol-1-yl)propanamide
CID 51075629
1-(4-Methylpiperazin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
CID 53517419
2-(4-ethylpiperazin-1-yl)-N-[1-methyl-2-(1H-1,2,4-triazol-1-yl)ethyl]acetamide
CID 91788532
N-piperidin-4-yl-3-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 43603378
1-[3-(1H-1,2,4-triazol-1-yl)piperidin-1-yl]-3-[(2,2,2-trifluoroethyl)amino]propan-1-one
CID 72141965
1-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 95750463
1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 95750464
3-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120811188
3-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120811189

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-2-carbonitrile?
The IUPAC name of 1-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-2-carbonitrile (CID 79085271) is 1-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-2-carbonitrile.
What is the SMILES notation for 1-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-2-carbonitrile?
The canonical SMILES for 1-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-2-carbonitrile is N#CC1CNCCN1C(=O)CCn1cncn1.
What is the InChIKey of 1-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-2-carbonitrile?
The InChIKey is CENBERLLZPCMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c11-5-9-6-12-2-4-16(9)10(17)1-3-15-8-13-7-14-15/h7-9,12H,1-4,6H2.
What are the key properties of 1-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-2-carbonitrile?
1-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-2-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of -1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-2-carbonitrile is sourced from PubChem (CID 79085271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).