(R)-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-(4-methylphenyl)methanamine

C16H15ClN4 — CID 97287873

IUPAC(R)-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-(4-methylphenyl)methanamine
SMILESCc1ccc([C@@H](N)c2nc(-c3ccc(Cl)cc3)n[nH]2)cc1
InChIInChI=1S/C16H15ClN4/c1-10-2-4-11(5-3-10)14(18)16-19-15(20-21-16)12-6-8-13(17)9-7-12/h2-9,14H,18H2,1H3,(H,19,20,21)/t14-/m1/s1
InChIKeyOBZLUKSYMSQKPA-CQSZACIVSA-N
MW298.78 g/mol
LogP3.48
Rot. Bonds3

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

(R)-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-(4-methylphenyl)methanamine (PubChem CID 97287873) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is (R)-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name(R)-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-(4-methylphenyl)methanamine
PubChem CID97287873
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name(R)-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-(4-methylphenyl)methanamine
SMILESCc1ccc([C@@H](N)c2nc(-c3ccc(Cl)cc3)n[nH]2)cc1
InChIInChI=1S/C16H15ClN4/c1-10-2-4-11(5-3-10)14(18)16-19-15(20-21-16)12-6-8-13(17)9-7-12/h2-9,14H,18H2,1H3,(H,19,20,21)/t14-/m1/s1
InChIKeyOBZLUKSYMSQKPA-CQSZACIVSA-N
XLogP3.48
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(4-chlorophenyl)-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97287807
(R)-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-(4-methoxyphenyl)methanamine
CID 97287459
4-[5-[(R)-amino-(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]phenol
CID 136902674
(R)-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-(4-methylphenyl)methanamine
CID 97287865
(S)-(4-methylphenyl)-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97287870
(R)-(4-chlorophenyl)-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97287834
3-[5-[(S)-amino-(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]phenol
CID 97287874
(R)-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-(3-ethoxy-4-methoxyphenyl)methanamine
CID 97288151
2-[5-[(S)-amino-(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]phenol
CID 136902662
(R)-(4-methylphenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 97287931
(S)-(4-chlorophenyl)-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 97287717
(S)-(4-chlorophenyl)-[3-(4-methoxy-3-nitrophenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97287823

Frequently Asked Questions

What is the IUPAC name of (R)-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-(4-methylphenyl)methanamine?
The IUPAC name of (R)-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-(4-methylphenyl)methanamine (CID 97287873) is (R)-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-(4-methylphenyl)methanamine.
What is the SMILES notation for (R)-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-(4-methylphenyl)methanamine?
The canonical SMILES for (R)-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-(4-methylphenyl)methanamine is Cc1ccc([C@@H](N)c2nc(-c3ccc(Cl)cc3)n[nH]2)cc1.
What is the InChIKey of (R)-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-(4-methylphenyl)methanamine?
The InChIKey is OBZLUKSYMSQKPA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15ClN4/c1-10-2-4-11(5-3-10)14(18)16-19-15(20-21-16)12-6-8-13(17)9-7-12/h2-9,14H,18H2,1H3,(H,19,20,21)/t14-/m1/s1.
What are the key properties of (R)-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-(4-methylphenyl)methanamine?
(R)-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-(4-methylphenyl)methanamine has a molecular weight of 298.78 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-(4-methylphenyl)methanamine is sourced from PubChem (CID 97287873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).