[5-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine

C11H13ClN4 — CID 82207486

IUPAC[5-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine
SMILESCCn1nnc(CN)c1-c1ccccc1Cl
InChIInChI=1S/C11H13ClN4/c1-2-16-11(10(7-13)14-15-16)8-5-3-4-6-9(8)12/h3-6H,2,7,13H2,1H3
InChIKeyMHAHPBNDDBLHAM-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.08
Rot. Bonds3

About [5-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine

[5-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine (PubChem CID 82207486) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine
PubChem CID82207486
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name[5-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine
SMILESCCn1nnc(CN)c1-c1ccccc1Cl
InChIInChI=1S/C11H13ClN4/c1-2-16-11(10(7-13)14-15-16)8-5-3-4-6-9(8)12/h3-6H,2,7,13H2,1H3
InChIKeyMHAHPBNDDBLHAM-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

[1-benzyl-5-(2-chlorophenyl)triazol-4-yl]methanamine
CID 82203156
[5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 94943191
[1-ethyl-5-(2,3,4-trifluorophenyl)triazol-4-yl]methanamine
CID 82207516
[5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine
CID 82198074
[1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82207457
[5-(2-chlorophenyl)-1-pentyltriazol-4-yl]methanol
CID 82205745
[1-butyl-5-(2-fluorophenyl)triazol-4-yl]methanamine
CID 82205505
[5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203281
5-(2-chlorophenyl)-1-ethylpyrazol-4-ol
CID 105480037
(5-benzyl-1-ethyltriazol-4-yl)methanamine
CID 82207476
[1-ethyl-5-(2-methoxyphenyl)triazol-4-yl]methanol
CID 82207271
[1-heptyl-5-(2-methoxyphenyl)triazol-4-yl]methanamine
CID 82208122

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine?
The IUPAC name of [5-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine (CID 82207486) is [5-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine?
The canonical SMILES for [5-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine is CCn1nnc(CN)c1-c1ccccc1Cl.
What is the InChIKey of [5-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine?
The InChIKey is MHAHPBNDDBLHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-2-16-11(10(7-13)14-15-16)8-5-3-4-6-9(8)12/h3-6H,2,7,13H2,1H3.
What are the key properties of [5-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine?
[5-(2-chlorophenyl)-1-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-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine is sourced from PubChem (CID 82207486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).