7-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[5,4-d]triazin-4-one

C10H14N6O — CID 102819861

IUPAC7-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[5,4-d]triazin-4-one
SMILESCn1ncc2c(=O)n(C[C@H]3CCCN3)nnc21
InChIInChI=1S/C10H14N6O/c1-15-9-8(5-12-15)10(17)16(14-13-9)6-7-3-2-4-11-7/h5,7,11H,2-4,6H2,1H3/t7-/m1/s1
InChIKeyAKSZAUNPQUWYTE-SSDOTTSWSA-N
MW234.26 g/mol
LogP-0.72
Rot. Bonds2

About 7-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[5,4-d]triazin-4-one

7-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[5,4-d]triazin-4-one (PubChem CID 102819861) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 7-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name7-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[5,4-d]triazin-4-one
PubChem CID102819861
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name7-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[5,4-d]triazin-4-one
SMILESCn1ncc2c(=O)n(C[C@H]3CCCN3)nnc21
InChIInChI=1S/C10H14N6O/c1-15-9-8(5-12-15)10(17)16(14-13-9)6-7-3-2-4-11-7/h5,7,11H,2-4,6H2,1H3/t7-/m1/s1
InChIKeyAKSZAUNPQUWYTE-SSDOTTSWSA-N
XLogP-0.72
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-5-(piperidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 63276978
3-(piperidin-2-ylmethyl)-1,2,3-benzotriazin-4-one;hydrochloride
CID 78053632
3-[(2R)-2-aminopropyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 103934867
3-(pyrrolidin-2-ylmethyl)pyrido[3,4-d]pyridazin-4-one
CID 102548974
5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 106548752
3-(9-bromononyl)-7-methylpyrazolo[5,4-d]triazin-4-one
CID 105343168
3-(3-ethylsulfanylpropyl)-7-methylpyrazolo[5,4-d]triazin-4-one
CID 103744176
3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 104753332
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 136513641
3-[(6-chloropyridazin-3-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 104514014
5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one
CID 114395863
N-cyclopropyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 106600327

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 7-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[5,4-d]triazin-4-one (CID 102819861) is 7-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 7-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 7-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[5,4-d]triazin-4-one is Cn1ncc2c(=O)n(C[C@H]3CCCN3)nnc21.
What is the InChIKey of 7-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[5,4-d]triazin-4-one?
The InChIKey is AKSZAUNPQUWYTE-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14N6O/c1-15-9-8(5-12-15)10(17)16(14-13-9)6-7-3-2-4-11-7/h5,7,11H,2-4,6H2,1H3/t7-/m1/s1.
What are the key properties of 7-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[5,4-d]triazin-4-one?
7-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[5,4-d]triazin-4-one has a molecular weight of 234.26 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 102819861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).