1-[(3-chlorophenyl)methyl]triazole

C9H8ClN3 — CID 12811466

IUPAC1-[(3-chlorophenyl)methyl]triazole
SMILESClc1cccc(Cn2ccnn2)c1
InChIInChI=1S/C9H8ClN3/c10-9-3-1-2-8(6-9)7-13-5-4-11-12-13/h1-6H,7H2
InChIKeyLXDGZAMTCCLKDC-UHFFFAOYSA-N
MW193.64 g/mol
LogP1.98
Rot. Bonds2

About 1-[(3-chlorophenyl)methyl]triazole

1-[(3-chlorophenyl)methyl]triazole (PubChem CID 12811466) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]triazole.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]triazole
PubChem CID12811466
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name1-[(3-chlorophenyl)methyl]triazole
SMILESClc1cccc(Cn2ccnn2)c1
InChIInChI=1S/C9H8ClN3/c10-9-3-1-2-8(6-9)7-13-5-4-11-12-13/h1-6H,7H2
InChIKeyLXDGZAMTCCLKDC-UHFFFAOYSA-N
XLogP1.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.64
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dichlorophenyl)methyl]triazole
CID 167791841
1-[(3-fluorophenyl)methyl]triazole
CID 12811470
1-[(4-nitrosophenyl)methyl]triazole
CID 129064924
1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanol
CID 81444396
1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanamine
CID 114419923
3-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 71452487
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
1-[(3-chlorophenyl)methyl]-3,4-dimethylpyrazole
CID 143458745
1-[(3-chlorophenyl)methyl]pyrazol-4-amine
CID 7017127
1-[(3-chlorophenyl)methyl]-2-iodoimidazole
CID 131631931
[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol
CID 82203683
[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 82203684

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]triazole?
The IUPAC name of 1-[(3-chlorophenyl)methyl]triazole (CID 12811466) is 1-[(3-chlorophenyl)methyl]triazole.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]triazole?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]triazole is Clc1cccc(Cn2ccnn2)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]triazole?
The InChIKey is LXDGZAMTCCLKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c10-9-3-1-2-8(6-9)7-13-5-4-11-12-13/h1-6H,7H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]triazole?
1-[(3-chlorophenyl)methyl]triazole has a molecular weight of 193.64 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]triazole is sourced from PubChem (CID 12811466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).