3-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1,3-dicarboxamide

C10H16N6O2 — CID 78927822

IUPAC3-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1,3-dicarboxamide
SMILESCc1nc(NC(=O)C2CCCN(C(N)=O)C2)n[nH]1
InChIInChI=1S/C10H16N6O2/c1-6-12-10(15-14-6)13-8(17)7-3-2-4-16(5-7)9(11)18/h7H,2-5H2,1H3,(H2,11,18)(H2,12,13,14,15,17)
InChIKeyHIRCGERTCVQHSF-UHFFFAOYSA-N
MW252.28 g/mol
LogP-0.16
Rot. Bonds2

About 3-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1,3-dicarboxamide

3-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1,3-dicarboxamide (PubChem CID 78927822) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1,3-dicarboxamide
PubChem CID78927822
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name3-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1,3-dicarboxamide
SMILESCc1nc(NC(=O)C2CCCN(C(N)=O)C2)n[nH]1
InChIInChI=1S/C10H16N6O2/c1-6-12-10(15-14-6)13-8(17)7-3-2-4-16(5-7)9(11)18/h7H,2-5H2,1H3,(H2,11,18)(H2,12,13,14,15,17)
InChIKeyHIRCGERTCVQHSF-UHFFFAOYSA-N
XLogP-0.16
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropanecarbonyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide
CID 78928337
N-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide
CID 78928145
3-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-1,3-dicarboxamide
CID 112689240
N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 86207135
1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
CID 78927453
3-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1,3-dicarboxamide
CID 104817596
3-[(1-carbamoylpiperidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526678
N-(5-methyl-1H-1,2,4-triazol-3-yl)thiolane-3-carboxamide
CID 80709247
4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid
CID 43170125
methyl 1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylate
CID 114009916
(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 51927409
3-N-[2-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 43022872

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1,3-dicarboxamide (CID 78927822) is 3-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1,3-dicarboxamide is Cc1nc(NC(=O)C2CCCN(C(N)=O)C2)n[nH]1.
What is the InChIKey of 3-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1,3-dicarboxamide?
The InChIKey is HIRCGERTCVQHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c1-6-12-10(15-14-6)13-8(17)7-3-2-4-16(5-7)9(11)18/h7H,2-5H2,1H3,(H2,11,18)(H2,12,13,14,15,17).
What are the key properties of 3-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1,3-dicarboxamide?
3-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1,3-dicarboxamide has a molecular weight of 252.28 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 78927822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).