(R)-(2-chlorophenyl)-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine

C15H19ClN4 — CID 107316196

IUPAC(R)-(2-chlorophenyl)-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine
SMILESN[C@@H](c1n[nH]c(C2CCCCC2)n1)c1ccccc1Cl
InChIInChI=1S/C15H19ClN4/c16-12-9-5-4-8-11(12)13(17)15-18-14(19-20-15)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7,17H2,(H,18,19,20)/t13-/m1/s1
InChIKeyMGVBGCZDFUONHA-CYBMUJFWSA-N
MW290.80 g/mol
LogP3.55
Rot. Bonds3

About (R)-(2-chlorophenyl)-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine

(R)-(2-chlorophenyl)-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine (PubChem CID 107316196) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is (R)-(2-chlorophenyl)-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(R)-(2-chlorophenyl)-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine
PubChem CID107316196
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name(R)-(2-chlorophenyl)-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine
SMILESN[C@@H](c1n[nH]c(C2CCCCC2)n1)c1ccccc1Cl
InChIInChI=1S/C15H19ClN4/c16-12-9-5-4-8-11(12)13(17)15-18-14(19-20-15)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7,17H2,(H,18,19,20)/t13-/m1/s1
InChIKeyMGVBGCZDFUONHA-CYBMUJFWSA-N
XLogP3.55
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(2-chlorophenyl)-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)methanamine
CID 107316195
cyclohexyl-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine
CID 61337578
5-cyclohexyl-3-(2,6-dichlorophenyl)-1H-1,2,4-triazole
CID 55221848
(1S)-1-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)ethanamine
CID 163409809
(R)-(2-chlorophenyl)-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methanamine
CID 107315453
5-cyclopentyl-3-(1-phenylpropyl)-1H-1,2,4-triazole
CID 61337737
5-cyclohexyl-3-(2,4-dimethylpentan-3-yl)-1H-1,2,4-triazole
CID 114282263
(1S)-1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pentan-1-amine
CID 107146725
1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
CID 61338739
(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)ethanol
CID 66263854
2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)propan-1-amine
CID 62674842
(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pentan-1-amine
CID 107146724

Frequently Asked Questions

What is the IUPAC name of (R)-(2-chlorophenyl)-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (R)-(2-chlorophenyl)-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine (CID 107316196) is (R)-(2-chlorophenyl)-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (R)-(2-chlorophenyl)-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (R)-(2-chlorophenyl)-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine is N[C@@H](c1n[nH]c(C2CCCCC2)n1)c1ccccc1Cl.
What is the InChIKey of (R)-(2-chlorophenyl)-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine?
The InChIKey is MGVBGCZDFUONHA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19ClN4/c16-12-9-5-4-8-11(12)13(17)15-18-14(19-20-15)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7,17H2,(H,18,19,20)/t13-/m1/s1.
What are the key properties of (R)-(2-chlorophenyl)-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine?
(R)-(2-chlorophenyl)-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine has a molecular weight of 290.80 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-chlorophenyl)-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 107316196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).