1-[1-[(2,5-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine

C11H12Cl2N4 — CID 105359536

IUPAC1-[1-[(2,5-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
SMILESCC(N)c1ncn(Cc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C11H12Cl2N4/c1-7(14)11-15-6-17(16-11)5-8-4-9(12)2-3-10(8)13/h2-4,6-7H,5,14H2,1H3
InChIKeyIJWVYHZYEQAWAP-UHFFFAOYSA-N
MW271.15 g/mol
LogP2.65
Rot. Bonds3

About 1-[1-[(2,5-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine

1-[1-[(2,5-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine (PubChem CID 105359536) has the molecular formula C11H12Cl2N4 and a molecular weight of 271.15 g/mol. Its IUPAC name is 1-[1-[(2,5-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2,5-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
PubChem CID105359536
Molecular FormulaC11H12Cl2N4
Molecular Weight271.15 g/mol
Exact Mass270.04
IUPAC Name1-[1-[(2,5-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
SMILESCC(N)c1ncn(Cc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C11H12Cl2N4/c1-7(14)11-15-6-17(16-11)5-8-4-9(12)2-3-10(8)13/h2-4,6-7H,5,14H2,1H3
InChIKeyIJWVYHZYEQAWAP-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359722
1-[1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359676
[4-[[3-(1-aminoethyl)-1,2,4-triazol-1-yl]methyl]phenyl]methanol
CID 105359663
1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine
CID 42281976
1-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359607
4-bromo-1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine
CID 65317657
4-(2,5-dichlorophenyl)-3-methylbutan-2-amine
CID 65316880
(2S)-4-(2,5-dichlorophenyl)butan-2-amine
CID 95375914
2-(2,5-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 65321175
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359509
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920676
1-[5-chloro-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 65318702

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,5-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 1-[1-[(2,5-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine (CID 105359536) is 1-[1-[(2,5-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2,5-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 1-[1-[(2,5-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine is CC(N)c1ncn(Cc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 1-[1-[(2,5-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is IJWVYHZYEQAWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4/c1-7(14)11-15-6-17(16-11)5-8-4-9(12)2-3-10(8)13/h2-4,6-7H,5,14H2,1H3.
What are the key properties of 1-[1-[(2,5-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine?
1-[1-[(2,5-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 271.15 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,5-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 105359536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).