3-[(2R)-2-aminopropyl]-7-methylpyrazolo[5,4-d]triazin-4-one

C8H12N6O — CID 103934867

IUPAC3-[(2R)-2-aminopropyl]-7-methylpyrazolo[5,4-d]triazin-4-one
SMILESC[C@@H](N)Cn1nnc2c(cnn2C)c1=O
InChIInChI=1S/C8H12N6O/c1-5(9)4-14-8(15)6-3-10-13(2)7(6)11-12-14/h3,5H,4,9H2,1-2H3/t5-/m1/s1
InChIKeyAUNUZNFMDFDWLW-RXMQYKEDSA-N
MW208.22 g/mol
LogP-1.13
Rot. Bonds2

About 3-[(2R)-2-aminopropyl]-7-methylpyrazolo[5,4-d]triazin-4-one

3-[(2R)-2-aminopropyl]-7-methylpyrazolo[5,4-d]triazin-4-one (PubChem CID 103934867) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-[(2R)-2-aminopropyl]-7-methylpyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name3-[(2R)-2-aminopropyl]-7-methylpyrazolo[5,4-d]triazin-4-one
PubChem CID103934867
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name3-[(2R)-2-aminopropyl]-7-methylpyrazolo[5,4-d]triazin-4-one
SMILESC[C@@H](N)Cn1nnc2c(cnn2C)c1=O
InChIInChI=1S/C8H12N6O/c1-5(9)4-14-8(15)6-3-10-13(2)7(6)11-12-14/h3,5H,4,9H2,1-2H3/t5-/m1/s1
InChIKeyAUNUZNFMDFDWLW-RXMQYKEDSA-N
XLogP-1.13
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-[[3-(aminomethyl)-2-fluorophenyl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 107113919
3-(3-methoxy-2-oxopropyl)-7-methylpyrazolo[5,4-d]triazin-4-one
CID 107507832
3-[(3-amino-2-fluorophenyl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 107347731
3-[2-(2,3-difluorophenyl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 167822338
3-[(6-chloropyridazin-3-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 104514014
3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 80609361
7-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[5,4-d]triazin-4-one
CID 102819861
3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 80664214
3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 80663299

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-aminopropyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 3-[(2R)-2-aminopropyl]-7-methylpyrazolo[5,4-d]triazin-4-one (CID 103934867) is 3-[(2R)-2-aminopropyl]-7-methylpyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 3-[(2R)-2-aminopropyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 3-[(2R)-2-aminopropyl]-7-methylpyrazolo[5,4-d]triazin-4-one is C[C@@H](N)Cn1nnc2c(cnn2C)c1=O.
What is the InChIKey of 3-[(2R)-2-aminopropyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The InChIKey is AUNUZNFMDFDWLW-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12N6O/c1-5(9)4-14-8(15)6-3-10-13(2)7(6)11-12-14/h3,5H,4,9H2,1-2H3/t5-/m1/s1.
What are the key properties of 3-[(2R)-2-aminopropyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
3-[(2R)-2-aminopropyl]-7-methylpyrazolo[5,4-d]triazin-4-one has a molecular weight of 208.22 g/mol, XLogP of -1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-aminopropyl]-7-methylpyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 103934867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).