[2-(2,4-dichlorophenyl)-4-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-6-methyl-3-pyridinyl]methanamine

C18H19Cl2N5 — CID 141490592

IUPAC[2-(2,4-dichlorophenyl)-4-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-6-methyl-3-pyridinyl]methanamine
SMILESCCc1ncn(Cc2cc(C)nc(-c3ccc(Cl)cc3Cl)c2CN)n1
InChIInChI=1S/C18H19Cl2N5/c1-3-17-22-10-25(24-17)9-12-6-11(2)23-18(15(12)8-21)14-5-4-13(19)7-16(14)20/h4-7,10H,3,8-9,21H2,1-2H3
InChIKeyQAXISERLTGKOPH-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.02
Rot. Bonds5

About [2-(2,4-dichlorophenyl)-4-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-6-methyl-3-pyridinyl]methanamine

[2-(2,4-dichlorophenyl)-4-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-6-methyl-3-pyridinyl]methanamine (PubChem CID 141490592) has the molecular formula C18H19Cl2N5 and a molecular weight of 376.29 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-4-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-6-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-4-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-6-methyl-3-pyridinyl]methanamine
PubChem CID141490592
Molecular FormulaC18H19Cl2N5
Molecular Weight376.29 g/mol
Exact Mass375.10
IUPAC Name[2-(2,4-dichlorophenyl)-4-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-6-methyl-3-pyridinyl]methanamine
SMILESCCc1ncn(Cc2cc(C)nc(-c3ccc(Cl)cc3Cl)c2CN)n1
InChIInChI=1S/C18H19Cl2N5/c1-3-17-22-10-25(24-17)9-12-6-11(2)23-18(15(12)8-21)14-5-4-13(19)7-16(14)20/h4-7,10H,3,8-9,21H2,1-2H3
InChIKeyQAXISERLTGKOPH-UHFFFAOYSA-N
XLogP4.02
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2,4-dichlorophenyl)-4-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-6-methyl-3-pyridinyl]methanamine with MolForge

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Related Compounds

[1-[(4-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 114859929
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-amine
CID 10149532
2-(2,4-dichlorophenyl)-6-ethylpyrimidin-4-amine
CID 62203520
2-(2,4-dichlorophenyl)-3-fluoro-6-methylpyridine
CID 170837737
4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine
CID 80975712
6-chloro-3-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-2-(trifluoromethyl)pyridine
CID 166243584
[3-[(2-chloro-6-fluorophenyl)methyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]methanamine
CID 24764792
[1-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 102619772
5-(2,4-dichlorophenyl)-3-ethyl-6-methylpyrazin-2-amine
CID 142247147
2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid
CID 118853015
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]pyrimidin-4-amine
CID 10237546
[2-(2,4-dichlorophenyl)-4,6-dimethoxyquinolin-3-yl]methanamine
CID 141399848

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-4-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-6-methyl-3-pyridinyl]methanamine?
The IUPAC name of [2-(2,4-dichlorophenyl)-4-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-6-methyl-3-pyridinyl]methanamine (CID 141490592) is [2-(2,4-dichlorophenyl)-4-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-6-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-4-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-6-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [2-(2,4-dichlorophenyl)-4-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-6-methyl-3-pyridinyl]methanamine is CCc1ncn(Cc2cc(C)nc(-c3ccc(Cl)cc3Cl)c2CN)n1.
What is the InChIKey of [2-(2,4-dichlorophenyl)-4-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-6-methyl-3-pyridinyl]methanamine?
The InChIKey is QAXISERLTGKOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5/c1-3-17-22-10-25(24-17)9-12-6-11(2)23-18(15(12)8-21)14-5-4-13(19)7-16(14)20/h4-7,10H,3,8-9,21H2,1-2H3.
What are the key properties of [2-(2,4-dichlorophenyl)-4-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-6-methyl-3-pyridinyl]methanamine?
[2-(2,4-dichlorophenyl)-4-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-6-methyl-3-pyridinyl]methanamine has a molecular weight of 376.29 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-4-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-6-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 141490592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).