[1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine

C12H14Cl2N4 — CID 82203709

IUPAC[1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine
SMILESCCc1c(CN)nnn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N4/c1-2-12-11(6-15)16-17-18(12)7-8-3-4-9(13)5-10(8)14/h3-5H,2,6-7,15H2,1H3
InChIKeyGMLHUFCGRZELHN-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.65
Rot. Bonds4

About [1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine

[1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine (PubChem CID 82203709) has the molecular formula C12H14Cl2N4 and a molecular weight of 285.18 g/mol. Its IUPAC name is [1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine
PubChem CID82203709
Molecular FormulaC12H14Cl2N4
Molecular Weight285.18 g/mol
Exact Mass284.06
IUPAC Name[1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine
SMILESCCc1c(CN)nnn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N4/c1-2-12-11(6-15)16-17-18(12)7-8-3-4-9(13)5-10(8)14/h3-5H,2,6-7,15H2,1H3
InChIKeyGMLHUFCGRZELHN-UHFFFAOYSA-N
XLogP2.65
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-ethyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanamine
CID 82203818
[1-[(2,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82697288
[5-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 82203355
1-[(2,4-dichlorophenyl)methyl]-5-(2-methylpropyl)triazole-4-carboxylic acid
CID 102645678
1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine
CID 79542823
5-amino-1-[(2,4-dichlorophenyl)methyl]triazole-4-carboxamide
CID 14662861
3-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-amine
CID 46397595
[1-[(3,4-dichlorophenyl)methyl]-5-(2-methylpropyl)triazol-4-yl]methanamine
CID 94943700
5-tert-butyl-1-[(2,4-dichlorophenyl)methyl]triazole-4-carbonitrile
CID 94943413
[1-[(2-chlorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanamine
CID 94943274
[5-[(E)-2-(4-chlorophenyl)ethenyl]-1-ethyltriazol-4-yl]methanamine
CID 82207512
1-[(2,4-dichlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole
CID 17026017

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine?
The IUPAC name of [1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine (CID 82203709) is [1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine.
What is the SMILES notation for [1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine?
The canonical SMILES for [1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine is CCc1c(CN)nnn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of [1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine?
The InChIKey is GMLHUFCGRZELHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4/c1-2-12-11(6-15)16-17-18(12)7-8-3-4-9(13)5-10(8)14/h3-5H,2,6-7,15H2,1H3.
What are the key properties of [1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine?
[1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine has a molecular weight of 285.18 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine is sourced from PubChem (CID 82203709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).