1-(3-chloro-4-methylphenyl)triazole

C9H8ClN3 — CID 144674616

IUPAC1-(3-chloro-4-methylphenyl)triazole
SMILESCc1ccc(-n2ccnn2)cc1Cl
InChIInChI=1S/C9H8ClN3/c1-7-2-3-8(6-9(7)10)13-5-4-11-12-13/h2-6H,1H3
InChIKeyAPCOGMJMQWJIHQ-UHFFFAOYSA-N
MW193.64 g/mol
LogP2.23
Rot. Bonds1

About 1-(3-chloro-4-methylphenyl)triazole

1-(3-chloro-4-methylphenyl)triazole (PubChem CID 144674616) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)triazole.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)triazole
PubChem CID144674616
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name1-(3-chloro-4-methylphenyl)triazole
SMILESCc1ccc(-n2ccnn2)cc1Cl
InChIInChI=1S/C9H8ClN3/c1-7-2-3-8(6-9(7)10)13-5-4-11-12-13/h2-6H,1H3
InChIKeyAPCOGMJMQWJIHQ-UHFFFAOYSA-N
XLogP2.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.64
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-Chloro-3-(trifluoromethyl)phenyl]triazole
CID 13106125
1-[2,4-Dichloro-3-(trifluoromethyl)phenyl]triazole
CID 146438044
4,5-Dideuterio-1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole
CID 146425097
1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-propyl-1H-1,2,3-triazole
CID 11508088
4-((2-chlorobenzyl)(1-(1-methyl-1H-1,2,3-triazol-4-yl)ethyl)amino)-2-chlorobenzonitrile
CID 45272345
1-(4-Chlorophenyl)-1H-1,2,3-triazole
CID 13106105
1-(3-Chlorophenyl)-1H-1,2,3-triazole
CID 13106104
1-[3,4-Dichloro-5-(trifluoromethyl)phenyl]triazole
CID 146425067
1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-pentyl-1H-1,2,3-triazole
CID 11494077
4-butyl-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-1H-1,2,3-triazole
CID 11602498
1-(2-Chlorophenyl)-4-phenyltriazole
CID 302171
1-(4-Chlorophenyl)-4-phenyl-1H-1,2,3-triazole
CID 16664256

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)triazole?
The IUPAC name of 1-(3-chloro-4-methylphenyl)triazole (CID 144674616) is 1-(3-chloro-4-methylphenyl)triazole.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)triazole?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)triazole is Cc1ccc(-n2ccnn2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)triazole?
The InChIKey is APCOGMJMQWJIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c1-7-2-3-8(6-9(7)10)13-5-4-11-12-13/h2-6H,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)triazole?
1-(3-chloro-4-methylphenyl)triazole has a molecular weight of 193.64 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)triazole is sourced from PubChem (CID 144674616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).