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

C14H17ClN4 — CID 107316195

IUPAC(R)-(2-chlorophenyl)-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)methanamine
SMILESN[C@@H](c1n[nH]c(C2CCCC2)n1)c1ccccc1Cl
InChIInChI=1S/C14H17ClN4/c15-11-8-4-3-7-10(11)12(16)14-17-13(18-19-14)9-5-1-2-6-9/h3-4,7-9,12H,1-2,5-6,16H2,(H,17,18,19)/t12-/m1/s1
InChIKeyANHLYKDRGKWQEJ-GFCCVEGCSA-N
MW276.77 g/mol
LogP3.16
Rot. Bonds3

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

(R)-(2-chlorophenyl)-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)methanamine (PubChem CID 107316195) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is (R)-(2-chlorophenyl)-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(R)-(2-chlorophenyl)-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)methanamine
PubChem CID107316195
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name(R)-(2-chlorophenyl)-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)methanamine
SMILESN[C@@H](c1n[nH]c(C2CCCC2)n1)c1ccccc1Cl
InChIInChI=1S/C14H17ClN4/c15-11-8-4-3-7-10(11)12(16)14-17-13(18-19-14)9-5-1-2-6-9/h3-4,7-9,12H,1-2,5-6,16H2,(H,17,18,19)/t12-/m1/s1
InChIKeyANHLYKDRGKWQEJ-GFCCVEGCSA-N
XLogP3.16
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-(2-chlorophenyl)-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (R)-(2-chlorophenyl)-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)methanamine (CID 107316195) is (R)-(2-chlorophenyl)-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (R)-(2-chlorophenyl)-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (R)-(2-chlorophenyl)-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)methanamine is N[C@@H](c1n[nH]c(C2CCCC2)n1)c1ccccc1Cl.
What is the InChIKey of (R)-(2-chlorophenyl)-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)methanamine?
The InChIKey is ANHLYKDRGKWQEJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17ClN4/c15-11-8-4-3-7-10(11)12(16)14-17-13(18-19-14)9-5-1-2-6-9/h3-4,7-9,12H,1-2,5-6,16H2,(H,17,18,19)/t12-/m1/s1.
What are the key properties of (R)-(2-chlorophenyl)-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)methanamine?
(R)-(2-chlorophenyl)-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)methanamine has a molecular weight of 276.77 g/mol, XLogP of 3.16, 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-cyclopentyl-1H-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 107316195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).