5-methyl-4-(2,2,3,3-tetrafluoropropoxy)-6-(1,2,4-triazol-1-yl)pyrimidine

C10H9F4N5O — CID 87547325

IUPAC5-methyl-4-(2,2,3,3-tetrafluoropropoxy)-6-(1,2,4-triazol-1-yl)pyrimidine
SMILESCc1c(OCC(F)(F)C(F)F)ncnc1-n1cncn1
InChIInChI=1S/C10H9F4N5O/c1-6-7(19-5-15-3-18-19)16-4-17-8(6)20-2-10(13,14)9(11)12/h3-5,9H,2H2,1H3
InChIKeyCZXJBJZLDDIETE-UHFFFAOYSA-N
MW291.21 g/mol
LogP1.64
Rot. Bonds5

About 5-methyl-4-(2,2,3,3-tetrafluoropropoxy)-6-(1,2,4-triazol-1-yl)pyrimidine

5-methyl-4-(2,2,3,3-tetrafluoropropoxy)-6-(1,2,4-triazol-1-yl)pyrimidine (PubChem CID 87547325) has the molecular formula C10H9F4N5O and a molecular weight of 291.21 g/mol. Its IUPAC name is 5-methyl-4-(2,2,3,3-tetrafluoropropoxy)-6-(1,2,4-triazol-1-yl)pyrimidine.

Molecular Properties

Compound Name5-methyl-4-(2,2,3,3-tetrafluoropropoxy)-6-(1,2,4-triazol-1-yl)pyrimidine
PubChem CID87547325
Molecular FormulaC10H9F4N5O
Molecular Weight291.21 g/mol
Exact Mass291.07
IUPAC Name5-methyl-4-(2,2,3,3-tetrafluoropropoxy)-6-(1,2,4-triazol-1-yl)pyrimidine
SMILESCc1c(OCC(F)(F)C(F)F)ncnc1-n1cncn1
InChIInChI=1S/C10H9F4N5O/c1-6-7(19-5-15-3-18-19)16-4-17-8(6)20-2-10(13,14)9(11)12/h3-5,9H,2H2,1H3
InChIKeyCZXJBJZLDDIETE-UHFFFAOYSA-N
XLogP1.64
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2,2,3,3-tetrafluoropropoxy)-6-(1,2,4-triazol-1-yl)pyrimidine?
The IUPAC name of 5-methyl-4-(2,2,3,3-tetrafluoropropoxy)-6-(1,2,4-triazol-1-yl)pyrimidine (CID 87547325) is 5-methyl-4-(2,2,3,3-tetrafluoropropoxy)-6-(1,2,4-triazol-1-yl)pyrimidine.
What is the SMILES notation for 5-methyl-4-(2,2,3,3-tetrafluoropropoxy)-6-(1,2,4-triazol-1-yl)pyrimidine?
The canonical SMILES for 5-methyl-4-(2,2,3,3-tetrafluoropropoxy)-6-(1,2,4-triazol-1-yl)pyrimidine is Cc1c(OCC(F)(F)C(F)F)ncnc1-n1cncn1.
What is the InChIKey of 5-methyl-4-(2,2,3,3-tetrafluoropropoxy)-6-(1,2,4-triazol-1-yl)pyrimidine?
The InChIKey is CZXJBJZLDDIETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4N5O/c1-6-7(19-5-15-3-18-19)16-4-17-8(6)20-2-10(13,14)9(11)12/h3-5,9H,2H2,1H3.
What are the key properties of 5-methyl-4-(2,2,3,3-tetrafluoropropoxy)-6-(1,2,4-triazol-1-yl)pyrimidine?
5-methyl-4-(2,2,3,3-tetrafluoropropoxy)-6-(1,2,4-triazol-1-yl)pyrimidine has a molecular weight of 291.21 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2,2,3,3-tetrafluoropropoxy)-6-(1,2,4-triazol-1-yl)pyrimidine is sourced from PubChem (CID 87547325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).