N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-methylimidazole-2-carboxamide

C14H20N6O — CID 124843003

IUPACN-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-methylimidazole-2-carboxamide
SMILESC[C@@H](NC(=O)c1nccn1C)c1nncn1C1CCCC1
InChIInChI=1S/C14H20N6O/c1-10(17-14(21)13-15-7-8-19(13)2)12-18-16-9-20(12)11-5-3-4-6-11/h7-11H,3-6H2,1-2H3,(H,17,21)/t10-/m1/s1
InChIKeyCZTSCVZHHCPDBY-SNVBAGLBSA-N
MW288.35 g/mol
LogP1.62
Rot. Bonds4

About N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-methylimidazole-2-carboxamide

N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-methylimidazole-2-carboxamide (PubChem CID 124843003) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-methylimidazole-2-carboxamide
PubChem CID124843003
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC NameN-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-methylimidazole-2-carboxamide
SMILESC[C@@H](NC(=O)c1nccn1C)c1nncn1C1CCCC1
InChIInChI=1S/C14H20N6O/c1-10(17-14(21)13-15-7-8-19(13)2)12-18-16-9-20(12)11-5-3-4-6-11/h7-11H,3-6H2,1-2H3,(H,17,21)/t10-/m1/s1
InChIKeyCZTSCVZHHCPDBY-SNVBAGLBSA-N
XLogP1.62
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-methylimidazole-2-carboxamide (CID 124843003) is N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-methylimidazole-2-carboxamide is C[C@@H](NC(=O)c1nccn1C)c1nncn1C1CCCC1.
What is the InChIKey of N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-methylimidazole-2-carboxamide?
The InChIKey is CZTSCVZHHCPDBY-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N6O/c1-10(17-14(21)13-15-7-8-19(13)2)12-18-16-9-20(12)11-5-3-4-6-11/h7-11H,3-6H2,1-2H3,(H,17,21)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-methylimidazole-2-carboxamide?
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-methylimidazole-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 124843003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).