2-methyl-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

C10H11N5 — CID 82397314

IUPAC2-methyl-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1nc2ncc(C#N)c(C(C)C)n2n1
InChIInChI=1S/C10H11N5/c1-6(2)9-8(4-11)5-12-10-13-7(3)14-15(9)10/h5-6H,1-3H3
InChIKeyKRAXXRYRYKTFHX-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.43
Rot. Bonds1

About 2-methyl-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

2-methyl-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 82397314) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-methyl-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2-methyl-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID82397314
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name2-methyl-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1nc2ncc(C#N)c(C(C)C)n2n1
InChIInChI=1S/C10H11N5/c1-6(2)9-8(4-11)5-12-10-13-7(3)14-15(9)10/h5-6H,1-3H3
InChIKeyKRAXXRYRYKTFHX-UHFFFAOYSA-N
XLogP1.43
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 82411692
1-(2,6-dimethylphenyl)-5-propan-2-ylpyrazole-4-carbonitrile
CID 82292526
7-amino-2-(ethylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 66490217
1-methyl-6-oxo-2-propan-2-ylpyrimidine-5-carbonitrile
CID 83695851
2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 30465384
2-propan-2-ylpyridine-3,5-dicarbonitrile
CID 10261540
N-(5-cyano-4-methyl-2-propan-2-yl-3-pyridinyl)acetamide
CID 156733985
1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonitrile
CID 82294958
4-(1-hydroxypropan-2-ylamino)-2-methylpyrimidine-5-carbonitrile
CID 130541073
2-methyl-4-(trifluoromethyl)pyrimidine-5-carbonitrile
CID 82655671
2-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrimidine-5-carbonitrile
CID 112755080
5-butan-2-yl-1-methylpyrazole-4-carbonitrile
CID 90875351

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 2-methyl-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (CID 82397314) is 2-methyl-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 2-methyl-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 2-methyl-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is Cc1nc2ncc(C#N)c(C(C)C)n2n1.
What is the InChIKey of 2-methyl-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is KRAXXRYRYKTFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-6(2)9-8(4-11)5-12-10-13-7(3)14-15(9)10/h5-6H,1-3H3.
What are the key properties of 2-methyl-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
2-methyl-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 201.23 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 82397314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).