N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide

C10H17N5O — CID 61004336

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCn1cnnc1CNC(=O)C1CCCNC1
InChIInChI=1S/C10H17N5O/c1-15-7-13-14-9(15)6-12-10(16)8-3-2-4-11-5-8/h7-8,11H,2-6H2,1H3,(H,12,16)
InChIKeyOAMLPUCSQHFWHE-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.57
Rot. Bonds3

About N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 61004336) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID61004336
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCn1cnnc1CNC(=O)C1CCCNC1
InChIInChI=1S/C10H17N5O/c1-15-7-13-14-9(15)6-12-10(16)8-3-2-4-11-5-8/h7-8,11H,2-6H2,1H3,(H,12,16)
InChIKeyOAMLPUCSQHFWHE-UHFFFAOYSA-N
XLogP-0.57
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide (CID 61004336) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide is Cn1cnnc1CNC(=O)C1CCCNC1.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is OAMLPUCSQHFWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-15-7-13-14-9(15)6-12-10(16)8-3-2-4-11-5-8/h7-8,11H,2-6H2,1H3,(H,12,16).
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 61004336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).