3-chloro-6-phenyl-1,2,4-triazine

C9H6ClN3 — CID 11030632

IUPAC3-chloro-6-phenyl-1,2,4-triazine
SMILESClc1ncc(-c2ccccc2)nn1
InChIInChI=1S/C9H6ClN3/c10-9-11-6-8(12-13-9)7-4-2-1-3-5-7/h1-6H
InChIKeyPOSVMUJKVDQWHT-UHFFFAOYSA-N
MW191.62 g/mol
LogP2.19
Rot. Bonds1

About 3-chloro-6-phenyl-1,2,4-triazine

3-chloro-6-phenyl-1,2,4-triazine (PubChem CID 11030632) has the molecular formula C9H6ClN3 and a molecular weight of 191.62 g/mol. Its IUPAC name is 3-chloro-6-phenyl-1,2,4-triazine.

Molecular Properties

Compound Name3-chloro-6-phenyl-1,2,4-triazine
PubChem CID11030632
Molecular FormulaC9H6ClN3
Molecular Weight191.62 g/mol
Exact Mass191.03
IUPAC Name3-chloro-6-phenyl-1,2,4-triazine
SMILESClc1ncc(-c2ccccc2)nn1
InChIInChI=1S/C9H6ClN3/c10-9-11-6-8(12-13-9)7-4-2-1-3-5-7/h1-6H
InChIKeyPOSVMUJKVDQWHT-UHFFFAOYSA-N
XLogP2.19
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-phenylpyrazine
CID 1236664
6-phenyl-3-pyridin-2-yl-1,2,4-triazine
CID 6405118
3-[(2-chlorophenyl)methylsulfanyl]-6-phenyl-1,2,4-triazine
CID 2963013
2-chloro-3-(dichloromethyl)-5-phenylpyrazine
CID 10659885
2-phenyl-2-(6-phenyl-1,2,4-triazin-3-yl)acetonitrile
CID 15504350
2-(chloromethyl)-5-phenylpyrazine
CID 19769444
7-chloro-2-phenylquinoxaline
CID 12631823
4-chloro-5-fluoro-2-phenylpyridine
CID 118805079
5-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 588207
3-phenyl-6-pyridin-3-ylpyridazine
CID 12712239
2-chloro-5-[3-(2-chloropyrimidin-5-yl)phenyl]pyrimidine
CID 139238694
2,3-diphenyl-5-(4-phenylphenyl)pyrazine
CID 58991364

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-phenyl-1,2,4-triazine?
The IUPAC name of 3-chloro-6-phenyl-1,2,4-triazine (CID 11030632) is 3-chloro-6-phenyl-1,2,4-triazine.
What is the SMILES notation for 3-chloro-6-phenyl-1,2,4-triazine?
The canonical SMILES for 3-chloro-6-phenyl-1,2,4-triazine is Clc1ncc(-c2ccccc2)nn1.
What is the InChIKey of 3-chloro-6-phenyl-1,2,4-triazine?
The InChIKey is POSVMUJKVDQWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3/c10-9-11-6-8(12-13-9)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 3-chloro-6-phenyl-1,2,4-triazine?
3-chloro-6-phenyl-1,2,4-triazine has a molecular weight of 191.62 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-phenyl-1,2,4-triazine is sourced from PubChem (CID 11030632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).