3-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-amine

C15H12Cl2N4 — CID 46397595

IUPAC3-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-amine
SMILESNc1c(-c2ccccc2)nnn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N4/c16-12-7-6-11(13(17)8-12)9-21-15(18)14(19-20-21)10-4-2-1-3-5-10/h1-8H,9,18H2
InChIKeyBVYVVWHHFCXLNT-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.88
Rot. Bonds3

About 3-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-amine

3-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-amine (PubChem CID 46397595) has the molecular formula C15H12Cl2N4 and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-amine.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-amine
PubChem CID46397595
Molecular FormulaC15H12Cl2N4
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name3-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-amine
SMILESNc1c(-c2ccccc2)nnn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N4/c16-12-7-6-11(13(17)8-12)9-21-15(18)14(19-20-21)10-4-2-1-3-5-10/h1-8H,9,18H2
InChIKeyBVYVVWHHFCXLNT-UHFFFAOYSA-N
XLogP3.88
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-[(2,4-dichlorophenyl)methyl]triazole-4-carboxamide
CID 14662861
1-[(2,4-dichlorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole
CID 3134332
1-[(2,4-dichlorophenyl)methyl]-4-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-3-amine
CID 35715079
2-(2,4-dichlorophenyl)-N-[[2-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124895412
[1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine
CID 82203709
N-[[2-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124826066
(1S)-N-[[2-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylethanamine
CID 124824295
5-bromo-2-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-amine
CID 131613352
5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-[(2,4-dichlorophenyl)methyl]triazole-4-carboxamide
CID 46506477
1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide
CID 11537039
5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 2815312
5-tert-butyl-1-[(2,4-dichlorophenyl)methyl]triazole-4-carbonitrile
CID 94943413

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-amine?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-amine (CID 46397595) is 3-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-amine.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-amine?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-amine is Nc1c(-c2ccccc2)nnn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-amine?
The InChIKey is BVYVVWHHFCXLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4/c16-12-7-6-11(13(17)8-12)9-21-15(18)14(19-20-21)10-4-2-1-3-5-10/h1-8H,9,18H2.
What are the key properties of 3-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-amine?
3-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-amine has a molecular weight of 319.20 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-amine is sourced from PubChem (CID 46397595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).