7-chloro-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

C16H10ClF6N3 — CID 574594

IUPAC7-chloro-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C3C=CC(Cl)=CN32)cc1
InChIInChI=1S/C16H10ClF6N3/c1-9-2-4-10(5-3-9)13-25-14(15(18,19)20,16(21,22)23)24-12-7-6-11(17)8-26(12)13/h2-8H,1H3
InChIKeySRINXSKQAWZNME-UHFFFAOYSA-N
MW393.72 g/mol
LogP4.93
Rot. Bonds1

About 7-chloro-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

7-chloro-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (PubChem CID 574594) has the molecular formula C16H10ClF6N3 and a molecular weight of 393.72 g/mol. Its IUPAC name is 7-chloro-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.

Molecular Properties

Compound Name7-chloro-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
PubChem CID574594
Molecular FormulaC16H10ClF6N3
Molecular Weight393.72 g/mol
Exact Mass393.05
IUPAC Name7-chloro-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C3C=CC(Cl)=CN32)cc1
InChIInChI=1S/C16H10ClF6N3/c1-9-2-4-10(5-3-9)13-25-14(15(18,19)20,16(21,22)23)24-12-7-6-11(17)8-26(12)13/h2-8H,1H3
InChIKeySRINXSKQAWZNME-UHFFFAOYSA-N
XLogP4.93
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.72
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The IUPAC name of 7-chloro-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (CID 574594) is 7-chloro-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.
What is the SMILES notation for 7-chloro-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The canonical SMILES for 7-chloro-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is Cc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C3C=CC(Cl)=CN32)cc1.
What is the InChIKey of 7-chloro-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The InChIKey is SRINXSKQAWZNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF6N3/c1-9-2-4-10(5-3-9)13-25-14(15(18,19)20,16(21,22)23)24-12-7-6-11(17)8-26(12)13/h2-8H,1H3.
What are the key properties of 7-chloro-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
7-chloro-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine has a molecular weight of 393.72 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is sourced from PubChem (CID 574594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).