1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-methylpiperidine-4-carboxamide

C10H16N6O2 — CID 55115475

IUPAC1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2nc(N)n[nH]2)CC1
InChIInChI=1S/C10H16N6O2/c1-12-8(17)6-2-4-16(5-3-6)9(18)7-13-10(11)15-14-7/h6H,2-5H2,1H3,(H,12,17)(H3,11,13,14,15)
InChIKeyNTGWHAINFCNRRW-UHFFFAOYSA-N
MW252.28 g/mol
LogP-1.01
Rot. Bonds2

About 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-methylpiperidine-4-carboxamide

1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-methylpiperidine-4-carboxamide (PubChem CID 55115475) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-methylpiperidine-4-carboxamide
PubChem CID55115475
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2nc(N)n[nH]2)CC1
InChIInChI=1S/C10H16N6O2/c1-12-8(17)6-2-4-16(5-3-6)9(18)7-13-10(11)15-14-7/h6H,2-5H2,1H3,(H,12,17)(H3,11,13,14,15)
InChIKeyNTGWHAINFCNRRW-UHFFFAOYSA-N
XLogP-1.01
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-methylpiperidine-4-carboxamide (CID 55115475) is 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)c2nc(N)n[nH]2)CC1.
What is the InChIKey of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is NTGWHAINFCNRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c1-12-8(17)6-2-4-16(5-3-6)9(18)7-13-10(11)15-14-7/h6H,2-5H2,1H3,(H,12,17)(H3,11,13,14,15).
What are the key properties of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-methylpiperidine-4-carboxamide?
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 252.28 g/mol, XLogP of -1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55115475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).