[3-(2-chlorophenyl)-5-ethyltriazol-4-yl]methanamine

C11H13ClN4 — CID 105498553

IUPAC[3-(2-chlorophenyl)-5-ethyltriazol-4-yl]methanamine
SMILESCCc1nnn(-c2ccccc2Cl)c1CN
InChIInChI=1S/C11H13ClN4/c1-2-9-11(7-13)16(15-14-9)10-6-4-3-5-8(10)12/h3-6H,2,7,13H2,1H3
InChIKeyCSUFJNJHPHLAFY-UHFFFAOYSA-N
MW236.71 g/mol
LogP1.94
Rot. Bonds3

About [3-(2-chlorophenyl)-5-ethyltriazol-4-yl]methanamine

[3-(2-chlorophenyl)-5-ethyltriazol-4-yl]methanamine (PubChem CID 105498553) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-ethyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-5-ethyltriazol-4-yl]methanamine
PubChem CID105498553
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name[3-(2-chlorophenyl)-5-ethyltriazol-4-yl]methanamine
SMILESCCc1nnn(-c2ccccc2Cl)c1CN
InChIInChI=1S/C11H13ClN4/c1-2-9-11(7-13)16(15-14-9)10-6-4-3-5-8(10)12/h3-6H,2,7,13H2,1H3
InChIKeyCSUFJNJHPHLAFY-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-ethyl-3-(2-fluorophenyl)triazol-4-yl]methanamine
CID 105475486
2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol
CID 105472466
[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]methanamine
CID 82196549
1-[1-(2-chlorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431444
[1-(3-chloro-2-methylphenyl)-5-(methoxymethyl)triazol-4-yl]methanamine
CID 82196436
1-(2-chlorophenyl)-5-ethylpyrazol-4-amine;hydrochloride
CID 86775399
1-(3-chloro-2-fluorophenyl)-5-ethyltriazol-4-amine
CID 79502999
4-(chloromethyl)-5-ethyl-1-(2-methoxyphenyl)triazole
CID 56769536
2-[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetic acid
CID 79220424
[5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine
CID 82198294
[1-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyltriazol-4-yl]methanamine
CID 82197582
N-[[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
CID 107431053

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-5-ethyltriazol-4-yl]methanamine?
The IUPAC name of [3-(2-chlorophenyl)-5-ethyltriazol-4-yl]methanamine (CID 105498553) is [3-(2-chlorophenyl)-5-ethyltriazol-4-yl]methanamine.
What is the SMILES notation for [3-(2-chlorophenyl)-5-ethyltriazol-4-yl]methanamine?
The canonical SMILES for [3-(2-chlorophenyl)-5-ethyltriazol-4-yl]methanamine is CCc1nnn(-c2ccccc2Cl)c1CN.
What is the InChIKey of [3-(2-chlorophenyl)-5-ethyltriazol-4-yl]methanamine?
The InChIKey is CSUFJNJHPHLAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-2-9-11(7-13)16(15-14-9)10-6-4-3-5-8(10)12/h3-6H,2,7,13H2,1H3.
What are the key properties of [3-(2-chlorophenyl)-5-ethyltriazol-4-yl]methanamine?
[3-(2-chlorophenyl)-5-ethyltriazol-4-yl]methanamine has a molecular weight of 236.71 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-5-ethyltriazol-4-yl]methanamine is sourced from PubChem (CID 105498553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).