2,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide

C13H23N5O — CID 119036946

IUPAC2,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NCCN2CCCCC2C)n(C)n1
InChIInChI=1S/C13H23N5O/c1-10-6-4-5-8-18(10)9-7-14-13(19)12-15-11(2)16-17(12)3/h10H,4-9H2,1-3H3,(H,14,19)
InChIKeyWIIRMGLQTGMPQR-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.73
Rot. Bonds4

About 2,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide

2,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide (PubChem CID 119036946) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide
PubChem CID119036946
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NCCN2CCCCC2C)n(C)n1
InChIInChI=1S/C13H23N5O/c1-10-6-4-5-8-18(10)9-7-14-13(19)12-15-11(2)16-17(12)3/h10H,4-9H2,1-3H3,(H,14,19)
InChIKeyWIIRMGLQTGMPQR-UHFFFAOYSA-N
XLogP0.73
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide (CID 119036946) is 2,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)NCCN2CCCCC2C)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is WIIRMGLQTGMPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-10-6-4-5-8-18(10)9-7-14-13(19)12-15-11(2)16-17(12)3/h10H,4-9H2,1-3H3,(H,14,19).
What are the key properties of 2,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide?
2,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 119036946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).