6-(4-chlorophenyl)-4-phenyl-3-propan-2-yl-4H-triazine

C18H18ClN3 — CID 134916139

IUPAC6-(4-chlorophenyl)-4-phenyl-3-propan-2-yl-4H-triazine
SMILESCC(C)N1N=NC(c2ccc(Cl)cc2)=CC1c1ccccc1
InChIInChI=1S/C18H18ClN3/c1-13(2)22-18(15-6-4-3-5-7-15)12-17(20-21-22)14-8-10-16(19)11-9-14/h3-13,18H,1-2H3
InChIKeyRMTRTBNXKJARCO-UHFFFAOYSA-N
MW311.82 g/mol
LogP5.51
Rot. Bonds3

About 6-(4-chlorophenyl)-4-phenyl-3-propan-2-yl-4H-triazine

6-(4-chlorophenyl)-4-phenyl-3-propan-2-yl-4H-triazine (PubChem CID 134916139) has the molecular formula C18H18ClN3 and a molecular weight of 311.82 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-phenyl-3-propan-2-yl-4H-triazine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-phenyl-3-propan-2-yl-4H-triazine
PubChem CID134916139
Molecular FormulaC18H18ClN3
Molecular Weight311.82 g/mol
Exact Mass311.12
IUPAC Name6-(4-chlorophenyl)-4-phenyl-3-propan-2-yl-4H-triazine
SMILESCC(C)N1N=NC(c2ccc(Cl)cc2)=CC1c1ccccc1
InChIInChI=1S/C18H18ClN3/c1-13(2)22-18(15-6-4-3-5-7-15)12-17(20-21-22)14-8-10-16(19)11-9-14/h3-13,18H,1-2H3
InChIKeyRMTRTBNXKJARCO-UHFFFAOYSA-N
XLogP5.51
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.82
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methylphenyl)-4H-triazine
CID 134916199
2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine
CID 102126195
6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methoxyphenyl)-4H-triazine
CID 134916261
5-(4-chlorophenyl)-7-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 4066312
5-(4-chlorophenyl)-2-[(4-methylphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23944728
7-(4-methylphenyl)-5-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine
CID 139221952
5-(4-chlorophenyl)-7-phenyl-2-[(E)-3-phenylprop-2-enylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23832585
(4R,5R)-N-tert-butyl-7-(4-chlorophenyl)-2-methoxy-4-phenyl-4,5-dihydro-3H-azepin-5-amine
CID 135003217
5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23745561
5-(4-chlorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3464812
4-(4-chlorophenyl)-1-methyl-2,6-diphenyl-2H-1,3,5-triazine
CID 170004068
1-methyl-2-phenyl-2H-pyridin-4-ol
CID 174991192

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-phenyl-3-propan-2-yl-4H-triazine?
The IUPAC name of 6-(4-chlorophenyl)-4-phenyl-3-propan-2-yl-4H-triazine (CID 134916139) is 6-(4-chlorophenyl)-4-phenyl-3-propan-2-yl-4H-triazine.
What is the SMILES notation for 6-(4-chlorophenyl)-4-phenyl-3-propan-2-yl-4H-triazine?
The canonical SMILES for 6-(4-chlorophenyl)-4-phenyl-3-propan-2-yl-4H-triazine is CC(C)N1N=NC(c2ccc(Cl)cc2)=CC1c1ccccc1.
What is the InChIKey of 6-(4-chlorophenyl)-4-phenyl-3-propan-2-yl-4H-triazine?
The InChIKey is RMTRTBNXKJARCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3/c1-13(2)22-18(15-6-4-3-5-7-15)12-17(20-21-22)14-8-10-16(19)11-9-14/h3-13,18H,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-4-phenyl-3-propan-2-yl-4H-triazine?
6-(4-chlorophenyl)-4-phenyl-3-propan-2-yl-4H-triazine has a molecular weight of 311.82 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-phenyl-3-propan-2-yl-4H-triazine is sourced from PubChem (CID 134916139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).