2-chloro-4-(4-methylphenyl)-1,3,5-triazine

C10H8ClN3 — CID 130058312

IUPAC2-chloro-4-(4-methylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2ncnc(Cl)n2)cc1
InChIInChI=1S/C10H8ClN3/c1-7-2-4-8(5-3-7)9-12-6-13-10(11)14-9/h2-6H,1H3
InChIKeyRRRZLYJBNVNSRL-UHFFFAOYSA-N
MW205.65 g/mol
LogP2.50
Rot. Bonds1

About 2-chloro-4-(4-methylphenyl)-1,3,5-triazine

2-chloro-4-(4-methylphenyl)-1,3,5-triazine (PubChem CID 130058312) has the molecular formula C10H8ClN3 and a molecular weight of 205.65 g/mol. Its IUPAC name is 2-chloro-4-(4-methylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(4-methylphenyl)-1,3,5-triazine
PubChem CID130058312
Molecular FormulaC10H8ClN3
Molecular Weight205.65 g/mol
Exact Mass205.04
IUPAC Name2-chloro-4-(4-methylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2ncnc(Cl)n2)cc1
InChIInChI=1S/C10H8ClN3/c1-7-2-4-8(5-3-7)9-12-6-13-10(11)14-9/h2-6H,1H3
InChIKeyRRRZLYJBNVNSRL-UHFFFAOYSA-N
XLogP2.50
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-(4-methylphenyl)-1,3,5-triazine
CID 174341953
4-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 63867122
2-chloro-4-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 175930294
2-chloro-4-pyrimidin-5-yl-1,3,5-triazine
CID 130058306
4-[4-(4-chloro-1,3,5-triazin-2-yl)phenyl]morpholine
CID 175431223
2-chloro-4-(2,6-difluorophenyl)-1,3,5-triazine
CID 141440382
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 59002233
2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 151473661
2-chloro-4-(6-chloro-2-pyridinyl)-1,3,5-triazine
CID 20763612
4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine
CID 80550164
potassium;2,4-dichloro-1,3,5-triazine;hydride
CID 173118138
2-(3-methylphenyl)-4-phenyl-1,3,5-triazine
CID 134408534

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methylphenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(4-methylphenyl)-1,3,5-triazine (CID 130058312) is 2-chloro-4-(4-methylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(4-methylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(4-methylphenyl)-1,3,5-triazine is Cc1ccc(-c2ncnc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-4-(4-methylphenyl)-1,3,5-triazine?
The InChIKey is RRRZLYJBNVNSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3/c1-7-2-4-8(5-3-7)9-12-6-13-10(11)14-9/h2-6H,1H3.
What are the key properties of 2-chloro-4-(4-methylphenyl)-1,3,5-triazine?
2-chloro-4-(4-methylphenyl)-1,3,5-triazine has a molecular weight of 205.65 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methylphenyl)-1,3,5-triazine is sourced from PubChem (CID 130058312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).