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

C10H11ClN4 — CID 83822954

IUPAC[1-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]methanamine
SMILESCc1c(Cl)cccc1-n1cnc(CN)n1
InChIInChI=1S/C10H11ClN4/c1-7-8(11)3-2-4-9(7)15-6-13-10(5-12)14-15/h2-4,6H,5,12H2,1H3
InChIKeyOJZXBGXDYLHAKB-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.69
Rot. Bonds2

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

[1-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 83822954) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is [1-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID83822954
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name[1-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]methanamine
SMILESCc1c(Cl)cccc1-n1cnc(CN)n1
InChIInChI=1S/C10H11ClN4/c1-7-8(11)3-2-4-9(7)15-6-13-10(5-12)14-15/h2-4,6H,5,12H2,1H3
InChIKeyOJZXBGXDYLHAKB-UHFFFAOYSA-N
XLogP1.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine
CID 82083524
[1-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]methanamine
CID 83825049
[1-(3-chloro-2-methylphenyl)imidazol-2-yl]methanamine
CID 82286820
2-[1-(3-chloro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethanamine
CID 82091408
[3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine
CID 96668761
[1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
CID 82482823
[1-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine
CID 62949604
1-(3-chloro-2-methylphenyl)-3-methylpyrazole-4-carbaldehyde
CID 84617551
4-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-amine
CID 134086884
[1-(6-methylpyridazin-3-yl)-1,2,4-triazol-3-yl]methanamine
CID 62951080
2-amino-N-[[1-(3-chloro-2-methylphenyl)triazol-4-yl]methyl]acetamide
CID 114777897
[1-(3-chloro-2-methylphenyl)-5-ethylpyrazol-4-yl]methanamine
CID 82297300

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [1-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]methanamine (CID 83822954) is [1-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [1-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [1-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]methanamine is Cc1c(Cl)cccc1-n1cnc(CN)n1.
What is the InChIKey of [1-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is OJZXBGXDYLHAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-7-8(11)3-2-4-9(7)15-6-13-10(5-12)14-15/h2-4,6H,5,12H2,1H3.
What are the key properties of [1-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]methanamine?
[1-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 222.68 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 83822954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).