2-(2-fluorophenyl)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetonitrile

C14H10FN5 — CID 3231376

IUPAC2-(2-fluorophenyl)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetonitrile
SMILESCc1cc(C(C#N)c2ccccc2F)n2ncnc2n1
InChIInChI=1S/C14H10FN5/c1-9-6-13(20-14(19-9)17-8-18-20)11(7-16)10-4-2-3-5-12(10)15/h2-6,8,11H,1H3
InChIKeyVBRZURURURJURZ-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.23
Rot. Bonds2

About 2-(2-fluorophenyl)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetonitrile

2-(2-fluorophenyl)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetonitrile (PubChem CID 3231376) has the molecular formula C14H10FN5 and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetonitrile
PubChem CID3231376
Molecular FormulaC14H10FN5
Molecular Weight267.27 g/mol
Exact Mass267.09
IUPAC Name2-(2-fluorophenyl)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetonitrile
SMILESCc1cc(C(C#N)c2ccccc2F)n2ncnc2n1
InChIInChI=1S/C14H10FN5/c1-9-6-13(20-14(19-9)17-8-18-20)11(7-16)10-4-2-3-5-12(10)15/h2-6,8,11H,1H3
InChIKeyVBRZURURURJURZ-UHFFFAOYSA-N
XLogP2.23
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetonitrile?
The IUPAC name of 2-(2-fluorophenyl)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetonitrile (CID 3231376) is 2-(2-fluorophenyl)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetonitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetonitrile?
The canonical SMILES for 2-(2-fluorophenyl)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetonitrile is Cc1cc(C(C#N)c2ccccc2F)n2ncnc2n1.
What is the InChIKey of 2-(2-fluorophenyl)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetonitrile?
The InChIKey is VBRZURURURJURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5/c1-9-6-13(20-14(19-9)17-8-18-20)11(7-16)10-4-2-3-5-12(10)15/h2-6,8,11H,1H3.
What are the key properties of 2-(2-fluorophenyl)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetonitrile?
2-(2-fluorophenyl)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetonitrile has a molecular weight of 267.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetonitrile is sourced from PubChem (CID 3231376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).