4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile

C9H9N5 — CID 12916105

IUPAC4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
SMILESCCc1nc(C)nc2c(C#N)cnn12
InChIInChI=1S/C9H9N5/c1-3-8-12-6(2)13-9-7(4-10)5-11-14(8)9/h5H,3H2,1-2H3
InChIKeyCNWHHUIGKJPFKX-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.87
Rot. Bonds1

About 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile

4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile (PubChem CID 12916105) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
PubChem CID12916105
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC Name4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
SMILESCCc1nc(C)nc2c(C#N)cnn12
InChIInChI=1S/C9H9N5/c1-3-8-12-6(2)13-9-7(4-10)5-11-14(8)9/h5H,3H2,1-2H3
InChIKeyCNWHHUIGKJPFKX-UHFFFAOYSA-N
XLogP0.87
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
The IUPAC name of 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile (CID 12916105) is 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile.
What is the SMILES notation for 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
The canonical SMILES for 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile is CCc1nc(C)nc2c(C#N)cnn12.
What is the InChIKey of 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
The InChIKey is CNWHHUIGKJPFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5/c1-3-8-12-6(2)13-9-7(4-10)5-11-14(8)9/h5H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile has a molecular weight of 187.21 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile is sourced from PubChem (CID 12916105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).