3-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide

C17H23N5O — CID 119733331

IUPAC3-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide
SMILESCCn1cnnc1-c1ccccc1NC(=O)C1CCCC(N)C1
InChIInChI=1S/C17H23N5O/c1-2-22-11-19-21-16(22)14-8-3-4-9-15(14)20-17(23)12-6-5-7-13(18)10-12/h3-4,8-9,11-13H,2,5-7,10,18H2,1H3,(H,20,23)
InChIKeyWKAIKDDLNHJXMV-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.42
Rot. Bonds4

About 3-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide

3-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 119733331) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 3-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide
PubChem CID119733331
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name3-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide
SMILESCCn1cnnc1-c1ccccc1NC(=O)C1CCCC(N)C1
InChIInChI=1S/C17H23N5O/c1-2-22-11-19-21-16(22)14-8-3-4-9-15(14)20-17(23)12-6-5-7-13(18)10-12/h3-4,8-9,11-13H,2,5-7,10,18H2,1H3,(H,20,23)
InChIKeyWKAIKDDLNHJXMV-UHFFFAOYSA-N
XLogP2.42
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119294822
3-amino-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119856940
4-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 120560664
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide
CID 63042139
1-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111840673
3-amino-N-[2-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 63044143
3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 55146162
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride
CID 119671192
3-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119737126
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119733347
3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide
CID 119852898
3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119704020

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide (CID 119733331) is 3-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide is CCn1cnnc1-c1ccccc1NC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is WKAIKDDLNHJXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-2-22-11-19-21-16(22)14-8-3-4-9-15(14)20-17(23)12-6-5-7-13(18)10-12/h3-4,8-9,11-13H,2,5-7,10,18H2,1H3,(H,20,23).
What are the key properties of 3-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide?
3-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119733331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).