1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanamine

C12H15ClN4 — CID 43671235

IUPAC1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanamine
SMILESCc1c(Cl)cccc1-n1nnc(C(C)N)c1C
InChIInChI=1S/C12H15ClN4/c1-7-10(13)5-4-6-11(7)17-9(3)12(8(2)14)15-16-17/h4-6,8H,14H2,1-3H3
InChIKeyDAFOCLNTCYTDLZ-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.56
Rot. Bonds2

About 1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanamine

1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanamine (PubChem CID 43671235) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanamine
PubChem CID43671235
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanamine
SMILESCc1c(Cl)cccc1-n1nnc(C(C)N)c1C
InChIInChI=1S/C12H15ClN4/c1-7-10(13)5-4-6-11(7)17-9(3)12(8(2)14)15-16-17/h4-6,8H,14H2,1-3H3
InChIKeyDAFOCLNTCYTDLZ-UHFFFAOYSA-N
XLogP2.56
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanamine
CID 43671311
1-[1-(3-bromo-2-methylphenyl)-5-methyltriazol-4-yl]ethanamine
CID 107627041
1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 82227906
1-(3-chloro-2-methylphenyl)-5-methyltriazole-4-carbaldehyde
CID 82196367
1-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]ethanamine
CID 43671186
ethyl 1-(3-chloro-2-methylphenyl)-5-methyltriazole-4-carboxylate
CID 43836315
1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanone
CID 43671078
1-[1-(3-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]ethanamine
CID 43671319
1-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]ethanamine
CID 62254228
2-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]acetic acid
CID 43671444
5-amino-1-(3-chloro-2-methylphenyl)triazole-4-carboxylic acid
CID 82298279
[1-(3-chloro-2-methylphenyl)-5-(methoxymethyl)triazol-4-yl]methanamine
CID 82196436

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanamine (CID 43671235) is 1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanamine is Cc1c(Cl)cccc1-n1nnc(C(C)N)c1C.
What is the InChIKey of 1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanamine?
The InChIKey is DAFOCLNTCYTDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-7-10(13)5-4-6-11(7)17-9(3)12(8(2)14)15-16-17/h4-6,8H,14H2,1-3H3.
What are the key properties of 1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanamine?
1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanamine has a molecular weight of 250.73 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanamine is sourced from PubChem (CID 43671235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).