1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidine-2-carboxamide

C10H16N6O2 — CID 54978369

IUPAC1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H16N6O2/c11-9(18)7-3-1-2-4-16(7)8(17)5-15-6-13-10(12)14-15/h6-7H,1-5H2,(H2,11,18)(H2,12,14)
InChIKeyRFZYXOUFHDXVHK-UHFFFAOYSA-N
MW252.28 g/mol
LogP-1.27
Rot. Bonds3

About 1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidine-2-carboxamide

1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidine-2-carboxamide (PubChem CID 54978369) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidine-2-carboxamide
PubChem CID54978369
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H16N6O2/c11-9(18)7-3-1-2-4-16(7)8(17)5-15-6-13-10(12)14-15/h6-7H,1-5H2,(H2,11,18)(H2,12,14)
InChIKeyRFZYXOUFHDXVHK-UHFFFAOYSA-N
XLogP-1.27
TPSA120.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 61105362
1-propanoylpiperidine-2-carboxamide
CID 60717244
(2R)-1-[2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetyl]piperidine-2-carboxamide
CID 95750565
1-[2-(1-ethylpyrazol-3-yl)acetyl]piperidine-2-carboxamide
CID 136549864
1-(2-cyclopropylacetyl)pyrrolidine-2-carboxamide
CID 89120166
4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83096780
4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
CID 43222532
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
cyclohexyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61310807
2-(3-amino-1,2,4-triazol-1-yl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 62935640
4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-methylpiperazin-2-one
CID 63594537
2-(3-amino-1,2,4-triazol-1-yl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 102882210

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidine-2-carboxamide (CID 54978369) is 1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidine-2-carboxamide is NC(=O)C1CCCCN1C(=O)Cn1cnc(N)n1.
What is the InChIKey of 1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidine-2-carboxamide?
The InChIKey is RFZYXOUFHDXVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c11-9(18)7-3-1-2-4-16(7)8(17)5-15-6-13-10(12)14-15/h6-7H,1-5H2,(H2,11,18)(H2,12,14).
What are the key properties of 1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidine-2-carboxamide?
1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidine-2-carboxamide has a molecular weight of 252.28 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidine-2-carboxamide is sourced from PubChem (CID 54978369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).