N-chloro-3-(triazol-2-yl)aniline

C8H7ClN4 — CID 141354691

IUPACN-chloro-3-(triazol-2-yl)aniline
SMILESClNc1cccc(-n2nccn2)c1
InChIInChI=1S/C8H7ClN4/c9-12-7-2-1-3-8(6-7)13-10-4-5-11-13/h1-6,12H
InChIKeyDFECTQMGIYVPCN-UHFFFAOYSA-N
MW194.63 g/mol
LogP1.83
Rot. Bonds2

About N-chloro-3-(triazol-2-yl)aniline

N-chloro-3-(triazol-2-yl)aniline (PubChem CID 141354691) has the molecular formula C8H7ClN4 and a molecular weight of 194.63 g/mol. Its IUPAC name is N-chloro-3-(triazol-2-yl)aniline.

Molecular Properties

Compound NameN-chloro-3-(triazol-2-yl)aniline
PubChem CID141354691
Molecular FormulaC8H7ClN4
Molecular Weight194.63 g/mol
Exact Mass194.04
IUPAC NameN-chloro-3-(triazol-2-yl)aniline
SMILESClNc1cccc(-n2nccn2)c1
InChIInChI=1S/C8H7ClN4/c9-12-7-2-1-3-8(6-7)13-10-4-5-11-13/h1-6,12H
InChIKeyDFECTQMGIYVPCN-UHFFFAOYSA-N
XLogP1.83
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.63
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-2H-1,2,3-triazol-4-amine
CID 4421759
4-(2H-1,2,3-Triazol-2-yl)aniline
CID 15514363
(2-phenyl-2H-1,2,3-triazol-4-yl)methanamine
CID 599268
4-Methyl-3-(2h-1,2,3-triazol-2-yl)aniline
CID 57471942
2-(3-Fluorophenyl)triazole
CID 123365637
2H-1,2,3-Triazole, 2-phenyl-, 1-oxide
CID 3395632
2-Phenyl-1,2,3-triazole
CID 5079630
4-Methyl-2-phenyl-2h-1,2,3-triazole
CID 12686648
4-bromo-2-phenyl-2H-1,2,3-triazole
CID 12686659
2-(2H-1,2,3-triazol-2-yl)aniline hydrochloride
CID 126796933
2-(4-fluorophenyl)-2H-1,2,3-triazol-4-amine hydrochloride
CID 138039681
4-Fluoro-2-phenyltriazole
CID 12686666

Frequently Asked Questions

What is the IUPAC name of N-chloro-3-(triazol-2-yl)aniline?
The IUPAC name of N-chloro-3-(triazol-2-yl)aniline (CID 141354691) is N-chloro-3-(triazol-2-yl)aniline.
What is the SMILES notation for N-chloro-3-(triazol-2-yl)aniline?
The canonical SMILES for N-chloro-3-(triazol-2-yl)aniline is ClNc1cccc(-n2nccn2)c1.
What is the InChIKey of N-chloro-3-(triazol-2-yl)aniline?
The InChIKey is DFECTQMGIYVPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c9-12-7-2-1-3-8(6-7)13-10-4-5-11-13/h1-6,12H.
What are the key properties of N-chloro-3-(triazol-2-yl)aniline?
N-chloro-3-(triazol-2-yl)aniline has a molecular weight of 194.63 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-3-(triazol-2-yl)aniline is sourced from PubChem (CID 141354691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).