2-[(1-propyltetrazol-5-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine

C10H11F3N6S — CID 47143055

IUPAC2-[(1-propyltetrazol-5-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine
SMILESCCCn1nnnc1CSc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N6S/c1-2-5-19-8(16-17-18-19)6-20-9-14-4-3-7(15-9)10(11,12)13/h3-4H,2,5-6H2,1H3
InChIKeyFMDWETZLSVRRKS-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.18
Rot. Bonds5

About 2-[(1-propyltetrazol-5-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine

2-[(1-propyltetrazol-5-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine (PubChem CID 47143055) has the molecular formula C10H11F3N6S and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-[(1-propyltetrazol-5-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[(1-propyltetrazol-5-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine
PubChem CID47143055
Molecular FormulaC10H11F3N6S
Molecular Weight304.30 g/mol
Exact Mass304.07
IUPAC Name2-[(1-propyltetrazol-5-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine
SMILESCCCn1nnnc1CSc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N6S/c1-2-5-19-8(16-17-18-19)6-20-9-14-4-3-7(15-9)10(11,12)13/h3-4H,2,5-6H2,1H3
InChIKeyFMDWETZLSVRRKS-UHFFFAOYSA-N
XLogP2.18
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-propyltetrazol-5-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[(1-propyltetrazol-5-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine (CID 47143055) is 2-[(1-propyltetrazol-5-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[(1-propyltetrazol-5-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[(1-propyltetrazol-5-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine is CCCn1nnnc1CSc1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-[(1-propyltetrazol-5-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is FMDWETZLSVRRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6S/c1-2-5-19-8(16-17-18-19)6-20-9-14-4-3-7(15-9)10(11,12)13/h3-4H,2,5-6H2,1H3.
What are the key properties of 2-[(1-propyltetrazol-5-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine?
2-[(1-propyltetrazol-5-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine has a molecular weight of 304.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propyltetrazol-5-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 47143055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).