[5-(2,5-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine

C11H12Cl2N4 — CID 112593466

IUPAC[5-(2,5-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
SMILESCCn1c(CN)nnc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl2N4/c1-2-17-10(6-14)15-16-11(17)8-5-7(12)3-4-9(8)13/h3-5H,2,6,14H2,1H3
InChIKeyGPPIAOVESODLRD-UHFFFAOYSA-N
MW271.15 g/mol
LogP2.73
Rot. Bonds3

About [5-(2,5-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine

[5-(2,5-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 112593466) has the molecular formula C11H12Cl2N4 and a molecular weight of 271.15 g/mol. Its IUPAC name is [5-(2,5-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,5-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
PubChem CID112593466
Molecular FormulaC11H12Cl2N4
Molecular Weight271.15 g/mol
Exact Mass270.04
IUPAC Name[5-(2,5-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
SMILESCCn1c(CN)nnc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl2N4/c1-2-17-10(6-14)15-16-11(17)8-5-7(12)3-4-9(8)13/h3-5H,2,6,14H2,1H3
InChIKeyGPPIAOVESODLRD-UHFFFAOYSA-N
XLogP2.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(5-chloro-2-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 112593457
[5-(5-chloro-2-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 82891450
3-(chloromethyl)-5-(2,5-dichlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115397493
[5-(2,3-difluorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 112593586
[5-(5-bromo-2-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 112593590
[5-(4-chloro-2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 112593844
[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 112593445
3-(5-chloro-2-fluorophenyl)-5-(chloromethyl)-4-propyl-1,2,4-triazole
CID 113302114
[5-(2-chloro-4-methylphenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine
CID 106864708
[5-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 115944139
[5-[(5-chloro-2-fluorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 103046802
[5-(5-chloro-2-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 82891451

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(2,5-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine (CID 112593466) is [5-(2,5-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(2,5-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(2,5-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine is CCn1c(CN)nnc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of [5-(2,5-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is GPPIAOVESODLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4/c1-2-17-10(6-14)15-16-11(17)8-5-7(12)3-4-9(8)13/h3-5H,2,6,14H2,1H3.
What are the key properties of [5-(2,5-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
[5-(2,5-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 271.15 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112593466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).