5-methyl-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-2H-triazole-4-carboxamide

C13H21N5O — CID 118764040

IUPAC5-methyl-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)NC1(CN2CCCCC2)CC1
InChIInChI=1S/C13H21N5O/c1-10-11(16-17-15-10)12(19)14-13(5-6-13)9-18-7-3-2-4-8-18/h2-9H2,1H3,(H,14,19)(H,15,16,17)
InChIKeySNHJYZNHJKQUOW-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.86
Rot. Bonds4

About 5-methyl-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-2H-triazole-4-carboxamide

5-methyl-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-2H-triazole-4-carboxamide (PubChem CID 118764040) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-methyl-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-2H-triazole-4-carboxamide
PubChem CID118764040
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name5-methyl-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)NC1(CN2CCCCC2)CC1
InChIInChI=1S/C13H21N5O/c1-10-11(16-17-15-10)12(19)14-13(5-6-13)9-18-7-3-2-4-8-18/h2-9H2,1H3,(H,14,19)(H,15,16,17)
InChIKeySNHJYZNHJKQUOW-UHFFFAOYSA-N
XLogP0.86
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-2H-triazole-4-carboxamide (CID 118764040) is 5-methyl-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-2H-triazole-4-carboxamide is Cc1n[nH]nc1C(=O)NC1(CN2CCCCC2)CC1.
What is the InChIKey of 5-methyl-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-2H-triazole-4-carboxamide?
The InChIKey is SNHJYZNHJKQUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-10-11(16-17-15-10)12(19)14-13(5-6-13)9-18-7-3-2-4-8-18/h2-9H2,1H3,(H,14,19)(H,15,16,17).
What are the key properties of 5-methyl-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-2H-triazole-4-carboxamide?
5-methyl-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-2H-triazole-4-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 118764040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).