7-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C13H13N7O2 — CID 127994318

IUPAC7-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCc1[nH]nc2ncc(C(=O)N3CCn4c(n[nH]c4=O)C3)cc12
InChIInChI=1S/C13H13N7O2/c1-7-9-4-8(5-14-11(9)17-15-7)12(21)19-2-3-20-10(6-19)16-18-13(20)22/h4-5H,2-3,6H2,1H3,(H,18,22)(H,14,15,17)
InChIKeyPUSINUUXCXLGNM-UHFFFAOYSA-N
MW299.29 g/mol
LogP-0.19
Rot. Bonds1

About 7-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one

7-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 127994318) has the molecular formula C13H13N7O2 and a molecular weight of 299.29 g/mol. Its IUPAC name is 7-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID127994318
Molecular FormulaC13H13N7O2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Name7-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCc1[nH]nc2ncc(C(=O)N3CCn4c(n[nH]c4=O)C3)cc12
InChIInChI=1S/C13H13N7O2/c1-7-9-4-8(5-14-11(9)17-15-7)12(21)19-2-3-20-10(6-19)16-18-13(20)22/h4-5H,2-3,6H2,1H3,(H,18,22)(H,14,15,17)
InChIKeyPUSINUUXCXLGNM-UHFFFAOYSA-N
XLogP-0.19
TPSA112.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)azetidine-3-carboxamide
CID 166218369
7-(5-methylquinoline-8-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 136564870
(2S)-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365779
(3R,4R)-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 166254692
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119634595
(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95768735
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 119652126
7-(2-methylpropanoyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 172548506
(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95342397
[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 95580398
(2,5-dimethylmorpholin-4-yl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 47413889
N-[[1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 132968715

Frequently Asked Questions

What is the IUPAC name of 7-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 127994318) is 7-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is Cc1[nH]nc2ncc(C(=O)N3CCn4c(n[nH]c4=O)C3)cc12.
What is the InChIKey of 7-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is PUSINUUXCXLGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O2/c1-7-9-4-8(5-14-11(9)17-15-7)12(21)19-2-3-20-10(6-19)16-18-13(20)22/h4-5H,2-3,6H2,1H3,(H,18,22)(H,14,15,17).
What are the key properties of 7-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 299.29 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 127994318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).