5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine

C10H10F3N5 — CID 130210279

IUPAC5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine
SMILESCC(C)c1cnc(-n2cc(C(F)(F)F)nn2)nc1
InChIInChI=1S/C10H10F3N5/c1-6(2)7-3-14-9(15-4-7)18-5-8(16-17-18)10(11,12)13/h3-6H,1-2H3
InChIKeyJVVJCXHUIMCDTN-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.20
Rot. Bonds2

About 5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine

5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine (PubChem CID 130210279) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is 5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine.

Molecular Properties

Compound Name5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine
PubChem CID130210279
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC Name5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine
SMILESCC(C)c1cnc(-n2cc(C(F)(F)F)nn2)nc1
InChIInChI=1S/C10H10F3N5/c1-6(2)7-3-14-9(15-4-7)18-5-8(16-17-18)10(11,12)13/h3-6H,1-2H3
InChIKeyJVVJCXHUIMCDTN-UHFFFAOYSA-N
XLogP2.20
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine?
The IUPAC name of 5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine (CID 130210279) is 5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine.
What is the SMILES notation for 5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine?
The canonical SMILES for 5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine is CC(C)c1cnc(-n2cc(C(F)(F)F)nn2)nc1.
What is the InChIKey of 5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine?
The InChIKey is JVVJCXHUIMCDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c1-6(2)7-3-14-9(15-4-7)18-5-8(16-17-18)10(11,12)13/h3-6H,1-2H3.
What are the key properties of 5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine?
5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine has a molecular weight of 257.22 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine is sourced from PubChem (CID 130210279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).