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

C9H14N6O2 — CID 55114995

IUPAC1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2nc(N)n[nH]2)CC1
InChIInChI=1S/C9H14N6O2/c10-6(16)5-1-3-15(4-2-5)8(17)7-12-9(11)14-13-7/h5H,1-4H2,(H2,10,16)(H3,11,12,13,14)
InChIKeyKHWDNUXPIGLNLU-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.28
Rot. Bonds2

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

1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-4-carboxamide (PubChem CID 55114995) has the molecular formula C9H14N6O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-4-carboxamide
PubChem CID55114995
Molecular FormulaC9H14N6O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2nc(N)n[nH]2)CC1
InChIInChI=1S/C9H14N6O2/c10-6(16)5-1-3-15(4-2-5)8(17)7-12-9(11)14-13-7/h5H,1-4H2,(H2,10,16)(H3,11,12,13,14)
InChIKeyKHWDNUXPIGLNLU-UHFFFAOYSA-N
XLogP-1.28
TPSA130.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.28
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)piperidine-4-carboxamide?
The IUPAC name of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-4-carboxamide (CID 55114995) is 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-4-carboxamide is NC(=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)piperidine-4-carboxamide?
The InChIKey is KHWDNUXPIGLNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2/c10-6(16)5-1-3-15(4-2-5)8(17)7-12-9(11)14-13-7/h5H,1-4H2,(H2,10,16)(H3,11,12,13,14).
What are the key properties of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-4-carboxamide?
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-4-carboxamide has a molecular weight of 238.25 g/mol, XLogP of -1.28, 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)piperidine-4-carboxamide is sourced from PubChem (CID 55114995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).