[5-(4-chlorophenyl)-3-ethyltriazol-4-yl]methanamine

C11H13ClN4 — CID 105498551

IUPAC[5-(4-chlorophenyl)-3-ethyltriazol-4-yl]methanamine
SMILESCCn1nnc(-c2ccc(Cl)cc2)c1CN
InChIInChI=1S/C11H13ClN4/c1-2-16-10(7-13)11(14-15-16)8-3-5-9(12)6-4-8/h3-6H,2,7,13H2,1H3
InChIKeyNGPUCXMEXLGXKX-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.08
Rot. Bonds3

About [5-(4-chlorophenyl)-3-ethyltriazol-4-yl]methanamine

[5-(4-chlorophenyl)-3-ethyltriazol-4-yl]methanamine (PubChem CID 105498551) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-3-ethyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-3-ethyltriazol-4-yl]methanamine
PubChem CID105498551
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name[5-(4-chlorophenyl)-3-ethyltriazol-4-yl]methanamine
SMILESCCn1nnc(-c2ccc(Cl)cc2)c1CN
InChIInChI=1S/C11H13ClN4/c1-2-16-10(7-13)11(14-15-16)8-3-5-9(12)6-4-8/h3-6H,2,7,13H2,1H3
InChIKeyNGPUCXMEXLGXKX-UHFFFAOYSA-N
XLogP2.08
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(aminomethyl)-1-ethyltriazol-4-yl]phenol
CID 105472480
[5-(4-chlorophenyl)-3-methyltriazol-4-yl]methanol
CID 146469015
[5-[(E)-2-(4-chlorophenyl)ethenyl]-1-ethyltriazol-4-yl]methanamine
CID 82207512
[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84746375
3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24866636
2-[3-heptyl-5-(4-methylphenyl)triazol-4-yl]ethanamine
CID 69448633
5-(4-chlorophenyl)-1-ethylpyrazol-4-ol
CID 105480039
[1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82207457
[5-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 82203355
pentan-3-yl 2-[4,5-bis(4-chlorophenyl)triazol-1-yl]acetate
CID 59363183
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 2757796
[1-ethyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine
CID 82207508

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-3-ethyltriazol-4-yl]methanamine?
The IUPAC name of [5-(4-chlorophenyl)-3-ethyltriazol-4-yl]methanamine (CID 105498551) is [5-(4-chlorophenyl)-3-ethyltriazol-4-yl]methanamine.
What is the SMILES notation for [5-(4-chlorophenyl)-3-ethyltriazol-4-yl]methanamine?
The canonical SMILES for [5-(4-chlorophenyl)-3-ethyltriazol-4-yl]methanamine is CCn1nnc(-c2ccc(Cl)cc2)c1CN.
What is the InChIKey of [5-(4-chlorophenyl)-3-ethyltriazol-4-yl]methanamine?
The InChIKey is NGPUCXMEXLGXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-2-16-10(7-13)11(14-15-16)8-3-5-9(12)6-4-8/h3-6H,2,7,13H2,1H3.
What are the key properties of [5-(4-chlorophenyl)-3-ethyltriazol-4-yl]methanamine?
[5-(4-chlorophenyl)-3-ethyltriazol-4-yl]methanamine has a molecular weight of 236.71 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-3-ethyltriazol-4-yl]methanamine is sourced from PubChem (CID 105498551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).