5-[1-(4-methylphenyl)tetrazol-5-yl]-2-pyridin-3-yl-4-(trifluoromethyl)pyrimidine

C18H12F3N7 — CID 5222986

IUPAC5-[1-(4-methylphenyl)tetrazol-5-yl]-2-pyridin-3-yl-4-(trifluoromethyl)pyrimidine
SMILESCc1ccc(-n2nnnc2-c2cnc(-c3cccnc3)nc2C(F)(F)F)cc1
InChIInChI=1S/C18H12F3N7/c1-11-4-6-13(7-5-11)28-17(25-26-27-28)14-10-23-16(12-3-2-8-22-9-12)24-15(14)18(19,20)21/h2-10H,1H3
InChIKeySZVZCOQYVOJFOC-UHFFFAOYSA-N
MW383.34 g/mol
LogP3.51
Rot. Bonds3

About 5-[1-(4-methylphenyl)tetrazol-5-yl]-2-pyridin-3-yl-4-(trifluoromethyl)pyrimidine

5-[1-(4-methylphenyl)tetrazol-5-yl]-2-pyridin-3-yl-4-(trifluoromethyl)pyrimidine (PubChem CID 5222986) has the molecular formula C18H12F3N7 and a molecular weight of 383.34 g/mol. Its IUPAC name is 5-[1-(4-methylphenyl)tetrazol-5-yl]-2-pyridin-3-yl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-[1-(4-methylphenyl)tetrazol-5-yl]-2-pyridin-3-yl-4-(trifluoromethyl)pyrimidine
PubChem CID5222986
Molecular FormulaC18H12F3N7
Molecular Weight383.34 g/mol
Exact Mass383.11
IUPAC Name5-[1-(4-methylphenyl)tetrazol-5-yl]-2-pyridin-3-yl-4-(trifluoromethyl)pyrimidine
SMILESCc1ccc(-n2nnnc2-c2cnc(-c3cccnc3)nc2C(F)(F)F)cc1
InChIInChI=1S/C18H12F3N7/c1-11-4-6-13(7-5-11)28-17(25-26-27-28)14-10-23-16(12-3-2-8-22-9-12)24-15(14)18(19,20)21/h2-10H,1H3
InChIKeySZVZCOQYVOJFOC-UHFFFAOYSA-N
XLogP3.51
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methylphenyl)tetrazol-5-yl]-2-pyridin-3-yl-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-[1-(4-methylphenyl)tetrazol-5-yl]-2-pyridin-3-yl-4-(trifluoromethyl)pyrimidine (CID 5222986) is 5-[1-(4-methylphenyl)tetrazol-5-yl]-2-pyridin-3-yl-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-[1-(4-methylphenyl)tetrazol-5-yl]-2-pyridin-3-yl-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-[1-(4-methylphenyl)tetrazol-5-yl]-2-pyridin-3-yl-4-(trifluoromethyl)pyrimidine is Cc1ccc(-n2nnnc2-c2cnc(-c3cccnc3)nc2C(F)(F)F)cc1.
What is the InChIKey of 5-[1-(4-methylphenyl)tetrazol-5-yl]-2-pyridin-3-yl-4-(trifluoromethyl)pyrimidine?
The InChIKey is SZVZCOQYVOJFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N7/c1-11-4-6-13(7-5-11)28-17(25-26-27-28)14-10-23-16(12-3-2-8-22-9-12)24-15(14)18(19,20)21/h2-10H,1H3.
What are the key properties of 5-[1-(4-methylphenyl)tetrazol-5-yl]-2-pyridin-3-yl-4-(trifluoromethyl)pyrimidine?
5-[1-(4-methylphenyl)tetrazol-5-yl]-2-pyridin-3-yl-4-(trifluoromethyl)pyrimidine has a molecular weight of 383.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methylphenyl)tetrazol-5-yl]-2-pyridin-3-yl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 5222986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).