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

C9H9N5O — CID 90418518

IUPAC3-ethyl-2-methyl-4-oxopyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
SMILESCCn1c(C)nc2c(C#N)cnn2c1=O
InChIInChI=1S/C9H9N5O/c1-3-13-6(2)12-8-7(4-10)5-11-14(8)9(13)15/h5H,3H2,1-2H3
InChIKeyPASADWWTGMQVLA-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.09
Rot. Bonds1

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

3-ethyl-2-methyl-4-oxopyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile (PubChem CID 90418518) has the molecular formula C9H9N5O and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-ethyl-2-methyl-4-oxopyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile.

Molecular Properties

Compound Name3-ethyl-2-methyl-4-oxopyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
PubChem CID90418518
Molecular FormulaC9H9N5O
Molecular Weight203.20 g/mol
Exact Mass203.08
IUPAC Name3-ethyl-2-methyl-4-oxopyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
SMILESCCn1c(C)nc2c(C#N)cnn2c1=O
InChIInChI=1S/C9H9N5O/c1-3-13-6(2)12-8-7(4-10)5-11-14(8)9(13)15/h5H,3H2,1-2H3
InChIKeyPASADWWTGMQVLA-UHFFFAOYSA-N
XLogP0.09
TPSA75.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-4-oxopyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
The IUPAC name of 3-ethyl-2-methyl-4-oxopyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile (CID 90418518) is 3-ethyl-2-methyl-4-oxopyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile.
What is the SMILES notation for 3-ethyl-2-methyl-4-oxopyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
The canonical SMILES for 3-ethyl-2-methyl-4-oxopyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile is CCn1c(C)nc2c(C#N)cnn2c1=O.
What is the InChIKey of 3-ethyl-2-methyl-4-oxopyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
The InChIKey is PASADWWTGMQVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c1-3-13-6(2)12-8-7(4-10)5-11-14(8)9(13)15/h5H,3H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-4-oxopyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
3-ethyl-2-methyl-4-oxopyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile has a molecular weight of 203.20 g/mol, XLogP of 0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-4-oxopyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile is sourced from PubChem (CID 90418518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).