N-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclopentanecarboxamide

C10H16N4O — CID 75503901

IUPACN-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclopentanecarboxamide
SMILESCc1nnc(NC(=O)C2CCCC2)n1C
InChIInChI=1S/C10H16N4O/c1-7-12-13-10(14(7)2)11-9(15)8-5-3-4-6-8/h8H,3-6H2,1-2H3,(H,11,13,15)
InChIKeyNMZGCLXCERVJIR-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.25
Rot. Bonds2

About N-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclopentanecarboxamide

N-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclopentanecarboxamide (PubChem CID 75503901) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclopentanecarboxamide
PubChem CID75503901
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclopentanecarboxamide
SMILESCc1nnc(NC(=O)C2CCCC2)n1C
InChIInChI=1S/C10H16N4O/c1-7-12-13-10(14(7)2)11-9(15)8-5-3-4-6-8/h8H,3-6H2,1-2H3,(H,11,13,15)
InChIKeyNMZGCLXCERVJIR-UHFFFAOYSA-N
XLogP1.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclopentanecarboxamide?
The IUPAC name of N-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclopentanecarboxamide (CID 75503901) is N-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclopentanecarboxamide is Cc1nnc(NC(=O)C2CCCC2)n1C.
What is the InChIKey of N-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclopentanecarboxamide?
The InChIKey is NMZGCLXCERVJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-12-13-10(14(7)2)11-9(15)8-5-3-4-6-8/h8H,3-6H2,1-2H3,(H,11,13,15).
What are the key properties of N-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclopentanecarboxamide?
N-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclopentanecarboxamide has a molecular weight of 208.26 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclopentanecarboxamide is sourced from PubChem (CID 75503901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).