3-cyclobutyltriazolo[1,5-a]pyrimidine-6-carbonitrile

C10H9N5 — CID 105452012

IUPAC3-cyclobutyltriazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1cnc2c(C3CCC3)nnn2c1
InChIInChI=1S/C10H9N5/c11-4-7-5-12-10-9(8-2-1-3-8)13-14-15(10)6-7/h5-6,8H,1-3H2
InChIKeyGBVROGFIQPYNCW-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.26
Rot. Bonds1

About 3-cyclobutyltriazolo[1,5-a]pyrimidine-6-carbonitrile

3-cyclobutyltriazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 105452012) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-cyclobutyltriazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name3-cyclobutyltriazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID105452012
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name3-cyclobutyltriazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1cnc2c(C3CCC3)nnn2c1
InChIInChI=1S/C10H9N5/c11-4-7-5-12-10-9(8-2-1-3-8)13-14-15(10)6-7/h5-6,8H,1-3H2
InChIKeyGBVROGFIQPYNCW-UHFFFAOYSA-N
XLogP1.26
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 105495917
1-cyclobutylpyrazole-4-carbonitrile
CID 105429045
3-formylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 105435034
triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 89258279
2-methyl-3-propylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 169223310
4-chloro-6-cyclopentylpyrimidine-5-carbonitrile
CID 82395505
6-bromo-2-cyclobutylpyrazolo[1,5-a]pyrimidin-3-amine
CID 115049666
1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile
CID 170925735
6-amino-5-cyclopropylpyridine-3-carbonitrile
CID 130050388
6-cyano-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 130047318
6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile
CID 115022328
2-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 82271954

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyltriazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 3-cyclobutyltriazolo[1,5-a]pyrimidine-6-carbonitrile (CID 105452012) is 3-cyclobutyltriazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 3-cyclobutyltriazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 3-cyclobutyltriazolo[1,5-a]pyrimidine-6-carbonitrile is N#Cc1cnc2c(C3CCC3)nnn2c1.
What is the InChIKey of 3-cyclobutyltriazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is GBVROGFIQPYNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c11-4-7-5-12-10-9(8-2-1-3-8)13-14-15(10)6-7/h5-6,8H,1-3H2.
What are the key properties of 3-cyclobutyltriazolo[1,5-a]pyrimidine-6-carbonitrile?
3-cyclobutyltriazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 199.22 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyltriazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 105452012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).