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

C9H14N6O2 — CID 62806690

IUPAC1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)c1nc(N)n[nH]1
InChIInChI=1S/C9H14N6O2/c10-6(16)5-3-1-2-4-15(5)8(17)7-12-9(11)14-13-7/h5H,1-4H2,(H2,10,16)(H3,11,12,13,14)
InChIKeyBMPIOAXWCIPDCR-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.13
Rot. Bonds2

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

1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxamide (PubChem CID 62806690) 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-2-carboxamide.

Molecular Properties

Compound Name1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxamide
PubChem CID62806690
Molecular FormulaC9H14N6O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)c1nc(N)n[nH]1
InChIInChI=1S/C9H14N6O2/c10-6(16)5-3-1-2-4-15(5)8(17)7-12-9(11)14-13-7/h5H,1-4H2,(H2,10,16)(H3,11,12,13,14)
InChIKeyBMPIOAXWCIPDCR-UHFFFAOYSA-N
XLogP-1.13
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 ≤ 5-1.13
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-2-carboxamide?
The IUPAC name of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxamide (CID 62806690) is 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxamide is NC(=O)C1CCCCN1C(=O)c1nc(N)n[nH]1.
What is the InChIKey of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxamide?
The InChIKey is BMPIOAXWCIPDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2/c10-6(16)5-3-1-2-4-15(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-2-carboxamide?
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxamide has a molecular weight of 238.25 g/mol, XLogP of -1.13, 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-2-carboxamide is sourced from PubChem (CID 62806690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).