[3-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-2-methylphenyl]methanamine

C16H14Cl2N4 — CID 141171435

IUPAC[3-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-2-methylphenyl]methanamine
SMILESCc1c(CN)cccc1-c1nncn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C16H14Cl2N4/c1-10-11(8-19)4-2-5-12(10)16-21-20-9-22(16)14-7-3-6-13(17)15(14)18/h2-7,9H,8,19H2,1H3
InChIKeyQVORHLPQEGFWAW-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.01
Rot. Bonds3

About [3-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-2-methylphenyl]methanamine

[3-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-2-methylphenyl]methanamine (PubChem CID 141171435) has the molecular formula C16H14Cl2N4 and a molecular weight of 333.22 g/mol. Its IUPAC name is [3-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-2-methylphenyl]methanamine.

Molecular Properties

Compound Name[3-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-2-methylphenyl]methanamine
PubChem CID141171435
Molecular FormulaC16H14Cl2N4
Molecular Weight333.22 g/mol
Exact Mass332.06
IUPAC Name[3-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-2-methylphenyl]methanamine
SMILESCc1c(CN)cccc1-c1nncn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C16H14Cl2N4/c1-10-11(8-19)4-2-5-12(10)16-21-20-9-22(16)14-7-3-6-13(17)15(14)18/h2-7,9H,8,19H2,1H3
InChIKeyQVORHLPQEGFWAW-UHFFFAOYSA-N
XLogP4.01
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[6-amino-5-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl]methanol
CID 24762621
4-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-amine
CID 134086884
[5-(2,3-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 112594015
3-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-5-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 24762620
3-(2,3-dichlorophenyl)-4-[(2,3-dichlorophenyl)methyl]-1,2,4-triazole
CID 16678288
3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 11617680
[1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
CID 82482823
[2-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine
CID 82294024
2-[2-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3H-benzimidazol-5-yl]propan-1-ol
CID 178074121
[1-(3-chloro-2-methylphenyl)-5-ethylpyrazol-4-yl]methanamine
CID 82297300
[3-(1-ethylpyrazol-4-yl)-2-methylphenyl]methanamine
CID 171364561
[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methanamine
CID 19627381

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-2-methylphenyl]methanamine?
The IUPAC name of [3-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-2-methylphenyl]methanamine (CID 141171435) is [3-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-2-methylphenyl]methanamine.
What is the SMILES notation for [3-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-2-methylphenyl]methanamine?
The canonical SMILES for [3-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-2-methylphenyl]methanamine is Cc1c(CN)cccc1-c1nncn1-c1cccc(Cl)c1Cl.
What is the InChIKey of [3-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-2-methylphenyl]methanamine?
The InChIKey is QVORHLPQEGFWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4/c1-10-11(8-19)4-2-5-12(10)16-21-20-9-22(16)14-7-3-6-13(17)15(14)18/h2-7,9H,8,19H2,1H3.
What are the key properties of [3-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-2-methylphenyl]methanamine?
[3-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-2-methylphenyl]methanamine has a molecular weight of 333.22 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-2-methylphenyl]methanamine is sourced from PubChem (CID 141171435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).