N-[(2R)-2-cyclohexylpropyl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide

C14H24N4O — CID 164630970

IUPACN-[(2R)-2-cyclohexylpropyl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NC[C@H](C)C2CCCCC2)n(C)n1
InChIInChI=1S/C14H24N4O/c1-10(12-7-5-4-6-8-12)9-15-14(19)13-16-11(2)17-18(13)3/h10,12H,4-9H2,1-3H3,(H,15,19)/t10-/m0/s1
InChIKeyJLWBYLWJFGFKFI-JTQLQIEISA-N
MW264.37 g/mol
LogP2.07
Rot. Bonds4

About N-[(2R)-2-cyclohexylpropyl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide

N-[(2R)-2-cyclohexylpropyl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide (PubChem CID 164630970) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(2R)-2-cyclohexylpropyl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclohexylpropyl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide
PubChem CID164630970
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[(2R)-2-cyclohexylpropyl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NC[C@H](C)C2CCCCC2)n(C)n1
InChIInChI=1S/C14H24N4O/c1-10(12-7-5-4-6-8-12)9-15-14(19)13-16-11(2)17-18(13)3/h10,12H,4-9H2,1-3H3,(H,15,19)/t10-/m0/s1
InChIKeyJLWBYLWJFGFKFI-JTQLQIEISA-N
XLogP2.07
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclohexylpropyl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(2R)-2-cyclohexylpropyl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide (CID 164630970) is N-[(2R)-2-cyclohexylpropyl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyclohexylpropyl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(2R)-2-cyclohexylpropyl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)NC[C@H](C)C2CCCCC2)n(C)n1.
What is the InChIKey of N-[(2R)-2-cyclohexylpropyl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide?
The InChIKey is JLWBYLWJFGFKFI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(12-7-5-4-6-8-12)9-15-14(19)13-16-11(2)17-18(13)3/h10,12H,4-9H2,1-3H3,(H,15,19)/t10-/m0/s1.
What are the key properties of N-[(2R)-2-cyclohexylpropyl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide?
N-[(2R)-2-cyclohexylpropyl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclohexylpropyl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 164630970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).