4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidine

C7H4ClF3N6S — CID 106768624

IUPAC4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidine
SMILESCn1nnnc1Sc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C7H4ClF3N6S/c1-17-6(14-15-16-17)18-4-2-3(8)12-5(13-4)7(9,10)11/h2H,1H3
InChIKeyDQQFUAIRESSRDB-UHFFFAOYSA-N
MW296.67 g/mol
LogP1.82
Rot. Bonds2

About 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidine

4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidine (PubChem CID 106768624) has the molecular formula C7H4ClF3N6S and a molecular weight of 296.67 g/mol. Its IUPAC name is 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidine
PubChem CID106768624
Molecular FormulaC7H4ClF3N6S
Molecular Weight296.67 g/mol
Exact Mass295.99
IUPAC Name4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidine
SMILESCn1nnnc1Sc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C7H4ClF3N6S/c1-17-6(14-15-16-17)18-4-2-3(8)12-5(13-4)7(9,10)11/h2H,1H3
InChIKeyDQQFUAIRESSRDB-UHFFFAOYSA-N
XLogP1.82
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.67
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidine (CID 106768624) is 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidine is Cn1nnnc1Sc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is DQQFUAIRESSRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N6S/c1-17-6(14-15-16-17)18-4-2-3(8)12-5(13-4)7(9,10)11/h2H,1H3.
What are the key properties of 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidine has a molecular weight of 296.67 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106768624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).