[2-(2,4,6-trichlorophenyl)triazol-4-yl]methanamine

C9H7Cl3N4 — CID 13163346

IUPAC[2-(2,4,6-trichlorophenyl)triazol-4-yl]methanamine
SMILESNCc1cnn(-c2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C9H7Cl3N4/c10-5-1-7(11)9(8(12)2-5)16-14-4-6(3-13)15-16/h1-2,4H,3,13H2
InChIKeyYHKWGQYWJMKTEJ-UHFFFAOYSA-N
MW277.54 g/mol
LogP2.69
Rot. Bonds2

About [2-(2,4,6-trichlorophenyl)triazol-4-yl]methanamine

[2-(2,4,6-trichlorophenyl)triazol-4-yl]methanamine (PubChem CID 13163346) has the molecular formula C9H7Cl3N4 and a molecular weight of 277.54 g/mol. Its IUPAC name is [2-(2,4,6-trichlorophenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2,4,6-trichlorophenyl)triazol-4-yl]methanamine
PubChem CID13163346
Molecular FormulaC9H7Cl3N4
Molecular Weight277.54 g/mol
Exact Mass275.97
IUPAC Name[2-(2,4,6-trichlorophenyl)triazol-4-yl]methanamine
SMILESNCc1cnn(-c2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C9H7Cl3N4/c10-5-1-7(11)9(8(12)2-5)16-14-4-6(3-13)15-16/h1-2,4H,3,13H2
InChIKeyYHKWGQYWJMKTEJ-UHFFFAOYSA-N
XLogP2.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.54
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-bromo-2-methylphenyl)triazol-4-yl]methanamine
CID 104508877
[2-(2-fluorophenyl)triazol-4-yl]methanamine;hydrochloride
CID 117071648
2-amino-3-[2-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]ethylideneamino]but-2-enedinitrile
CID 54182175
2-(3,5-dichloro-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)triazol-4-amine
CID 116799298
2-(4-bromo-2,6-dichlorophenyl)triazole-4-carbaldehyde
CID 19778396
2-[[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]-1H-imidazole-4,5-dicarbonitrile
CID 19778320
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanamine
CID 84658788
2-[2-(aminomethyl)-4-chlorophenyl]triazol-4-amine
CID 90233804
[1-(2,4-dichloro-6-nitrophenyl)triazol-4-yl]methanamine
CID 62056002
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazole-4-carboxylic acid
CID 54173610
(4,6-dichloro-2-pyridinyl)methanamine;hydrochloride
CID 91667899
1-(2,4,6-trichlorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942490

Frequently Asked Questions

What is the IUPAC name of [2-(2,4,6-trichlorophenyl)triazol-4-yl]methanamine?
The IUPAC name of [2-(2,4,6-trichlorophenyl)triazol-4-yl]methanamine (CID 13163346) is [2-(2,4,6-trichlorophenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [2-(2,4,6-trichlorophenyl)triazol-4-yl]methanamine?
The canonical SMILES for [2-(2,4,6-trichlorophenyl)triazol-4-yl]methanamine is NCc1cnn(-c2c(Cl)cc(Cl)cc2Cl)n1.
What is the InChIKey of [2-(2,4,6-trichlorophenyl)triazol-4-yl]methanamine?
The InChIKey is YHKWGQYWJMKTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3N4/c10-5-1-7(11)9(8(12)2-5)16-14-4-6(3-13)15-16/h1-2,4H,3,13H2.
What are the key properties of [2-(2,4,6-trichlorophenyl)triazol-4-yl]methanamine?
[2-(2,4,6-trichlorophenyl)triazol-4-yl]methanamine has a molecular weight of 277.54 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4,6-trichlorophenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 13163346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).