1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine

C11H13ClN4 — CID 79542823

IUPAC1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine
SMILESCCc1c(N)nnn1Cc1ccccc1Cl
InChIInChI=1S/C11H13ClN4/c1-2-10-11(13)14-15-16(10)7-8-5-3-4-6-9(8)12/h3-6H,2,7,13H2,1H3
InChIKeyUKWUMHMQEJGRDJ-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.12
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine

1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine (PubChem CID 79542823) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine
PubChem CID79542823
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine
SMILESCCc1c(N)nnn1Cc1ccccc1Cl
InChIInChI=1S/C11H13ClN4/c1-2-10-11(13)14-15-16(10)7-8-5-3-4-6-9(8)12/h3-6H,2,7,13H2,1H3
InChIKeyUKWUMHMQEJGRDJ-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-1-[(2-methylphenyl)methyl]triazol-4-amine
CID 79542133
5-ethyl-1-[(4-fluorophenyl)methyl]triazol-4-amine
CID 79542224
4-(chloromethyl)-1-[(2-chlorophenyl)methyl]-5-ethylpyrazole
CID 66438839
ethyl 5-(chloromethyl)-1-[(2-chlorophenyl)methyl]triazole-4-carboxylate
CID 103109438
1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine
CID 63276674
5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 2815312
1-[(3-chloro-2-fluorophenyl)methyl]-5-methyltriazol-4-amine
CID 102864092
[1-[(2-chlorophenyl)methyl]-5-(methoxymethyl)triazol-4-yl]methanol
CID 82203421
1-[(4-bromo-2-fluorophenyl)methyl]-5-ethyltriazol-4-amine
CID 79542917
5-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-amine
CID 79542056
1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyltriazol-4-amine
CID 79542535
[1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol
CID 82203375

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine (CID 79542823) is 1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine is CCc1c(N)nnn1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine?
The InChIKey is UKWUMHMQEJGRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-2-10-11(13)14-15-16(10)7-8-5-3-4-6-9(8)12/h3-6H,2,7,13H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine?
1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine has a molecular weight of 236.71 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine is sourced from PubChem (CID 79542823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).