3-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride

C18H26ClN5O — CID 119737126

IUPAC3-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)c1nc(-c2ccccc2NC(=O)C2CCCC(N)C2)n[nH]1.Cl
InChIInChI=1S/C18H25N5O.ClH/c1-11(2)16-21-17(23-22-16)14-8-3-4-9-15(14)20-18(24)12-6-5-7-13(19)10-12;/h3-4,8-9,11-13H,5-7,10,19H2,1-2H3,(H,20,24)(H,21,22,23);1H
InChIKeyVTEFEDQHHTWTGG-UHFFFAOYSA-N
MW363.89 g/mol
LogP3.47
Rot. Bonds4

About 3-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119737126) has the molecular formula C18H26ClN5O and a molecular weight of 363.89 g/mol. Its IUPAC name is 3-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119737126
Molecular FormulaC18H26ClN5O
Molecular Weight363.89 g/mol
Exact Mass363.18
IUPAC Name3-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)c1nc(-c2ccccc2NC(=O)C2CCCC(N)C2)n[nH]1.Cl
InChIInChI=1S/C18H25N5O.ClH/c1-11(2)16-21-17(23-22-16)14-8-3-4-9-15(14)20-18(24)12-6-5-7-13(19)10-12;/h3-4,8-9,11-13H,5-7,10,19H2,1-2H3,(H,20,24)(H,21,22,23);1H
InChIKeyVTEFEDQHHTWTGG-UHFFFAOYSA-N
XLogP3.47
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119737134
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3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119704020
1-(4-ethylphenyl)-5-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 60559874
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CID 119711154
3-amino-N-[2-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 63044143
3-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide
CID 119733331
3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119737126) is 3-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride is CC(C)c1nc(-c2ccccc2NC(=O)C2CCCC(N)C2)n[nH]1.Cl.
What is the InChIKey of 3-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is VTEFEDQHHTWTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O.ClH/c1-11(2)16-21-17(23-22-16)14-8-3-4-9-15(14)20-18(24)12-6-5-7-13(19)10-12;/h3-4,8-9,11-13H,5-7,10,19H2,1-2H3,(H,20,24)(H,21,22,23);1H.
What are the key properties of 3-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 363.89 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119737126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).