(1-amino-3-methylcyclohexyl)-(3-phenyltriazol-4-yl)methanone

C16H20N4O — CID 114692082

IUPAC(1-amino-3-methylcyclohexyl)-(3-phenyltriazol-4-yl)methanone
SMILESCC1CCCC(N)(C(=O)c2cnnn2-c2ccccc2)C1
InChIInChI=1S/C16H20N4O/c1-12-6-5-9-16(17,10-12)15(21)14-11-18-19-20(14)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10,17H2,1H3
InChIKeyDAYCAKQARFQLTL-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.36
Rot. Bonds3

About (1-amino-3-methylcyclohexyl)-(3-phenyltriazol-4-yl)methanone

(1-amino-3-methylcyclohexyl)-(3-phenyltriazol-4-yl)methanone (PubChem CID 114692082) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (1-amino-3-methylcyclohexyl)-(3-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(1-amino-3-methylcyclohexyl)-(3-phenyltriazol-4-yl)methanone
PubChem CID114692082
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(1-amino-3-methylcyclohexyl)-(3-phenyltriazol-4-yl)methanone
SMILESCC1CCCC(N)(C(=O)c2cnnn2-c2ccccc2)C1
InChIInChI=1S/C16H20N4O/c1-12-6-5-9-16(17,10-12)15(21)14-11-18-19-20(14)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10,17H2,1H3
InChIKeyDAYCAKQARFQLTL-UHFFFAOYSA-N
XLogP2.36
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-aminocyclopentyl)-(3-phenyltriazol-4-yl)methanone
CID 114691891
(1-aminocyclopropyl)-(3-phenyltriazol-4-yl)methanone
CID 114692058
(1-amino-3-methylcyclohexyl)-(3-fluorophenyl)methanone
CID 116579350
(1-amino-3-methylcyclohexyl)-(1,2-thiazol-4-yl)methanone
CID 164647354
(1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523783
phenyl-(3-phenyltriazol-4-yl)methanone
CID 23266578
(1-amino-3-methylcyclohexyl)-(2,4-difluorophenyl)methanone
CID 116579252
(3-phenyltriazol-4-yl)-(thiolan-2-yl)methanone
CID 114686100
1-amino-3-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 64549838
1-amino-3-methyl-N-(2-methyl-1-phenylpropyl)cyclohexane-1-carboxamide
CID 64551081
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
(4-aminophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691795

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methylcyclohexyl)-(3-phenyltriazol-4-yl)methanone?
The IUPAC name of (1-amino-3-methylcyclohexyl)-(3-phenyltriazol-4-yl)methanone (CID 114692082) is (1-amino-3-methylcyclohexyl)-(3-phenyltriazol-4-yl)methanone.
What is the SMILES notation for (1-amino-3-methylcyclohexyl)-(3-phenyltriazol-4-yl)methanone?
The canonical SMILES for (1-amino-3-methylcyclohexyl)-(3-phenyltriazol-4-yl)methanone is CC1CCCC(N)(C(=O)c2cnnn2-c2ccccc2)C1.
What is the InChIKey of (1-amino-3-methylcyclohexyl)-(3-phenyltriazol-4-yl)methanone?
The InChIKey is DAYCAKQARFQLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-6-5-9-16(17,10-12)15(21)14-11-18-19-20(14)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10,17H2,1H3.
What are the key properties of (1-amino-3-methylcyclohexyl)-(3-phenyltriazol-4-yl)methanone?
(1-amino-3-methylcyclohexyl)-(3-phenyltriazol-4-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methylcyclohexyl)-(3-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 114692082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).