ethane;3-methyl-2,4,6,7-tetrahydropyrazolo[3,4-c]pyridin-5-one

C9H15N3O — CID 144954980

IUPACethane;3-methyl-2,4,6,7-tetrahydropyrazolo[3,4-c]pyridin-5-one
SMILESCC.Cc1[nH]nc2c1CC(=O)NC2
InChIInChI=1S/C7H9N3O.C2H6/c1-4-5-2-7(11)8-3-6(5)10-9-4;1-2/h2-3H2,1H3,(H,8,11)(H,9,10);1-2H3
InChIKeyNGZGQEOGKSXKOB-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.92
Rot. Bonds

About ethane;3-methyl-2,4,6,7-tetrahydropyrazolo[3,4-c]pyridin-5-one

ethane;3-methyl-2,4,6,7-tetrahydropyrazolo[3,4-c]pyridin-5-one (PubChem CID 144954980) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is ethane;3-methyl-2,4,6,7-tetrahydropyrazolo[3,4-c]pyridin-5-one.

Molecular Properties

Compound Nameethane;3-methyl-2,4,6,7-tetrahydropyrazolo[3,4-c]pyridin-5-one
PubChem CID144954980
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Nameethane;3-methyl-2,4,6,7-tetrahydropyrazolo[3,4-c]pyridin-5-one
SMILESCC.Cc1[nH]nc2c1CC(=O)NC2
InChIInChI=1S/C7H9N3O.C2H6/c1-4-5-2-7(11)8-3-6(5)10-9-4;1-2/h2-3H2,1H3,(H,8,11)(H,9,10);1-2H3
InChIKeyNGZGQEOGKSXKOB-UHFFFAOYSA-N
XLogP0.92
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

acetaldehyde;ethane;3-methyl-4,5,6,7-tetrahydro-2H-indazole
CID 145304489
3-ethyl-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-5-one
CID 148725113
3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-5-one
CID 135043948
3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole
CID 58961072
3-methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 70661479
aziridin-2-one
CID 158991665
2-methyl-5,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-6-one
CID 130250914
ethane;methyl formate;3-methyl-4,5,6,7-tetrahydro-2H-indazole
CID 145304614
3,4-dimethyl-2,5-dihydro-1H-pyridin-6-one
CID 55287523
(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)methanamine
CID 82417265
2-methyl-7,8-dihydro-5H-1,7-naphthyridin-6-one
CID 130250553
3-methyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5-oxide
CID 130251417

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2,4,6,7-tetrahydropyrazolo[3,4-c]pyridin-5-one?
The IUPAC name of ethane;3-methyl-2,4,6,7-tetrahydropyrazolo[3,4-c]pyridin-5-one (CID 144954980) is ethane;3-methyl-2,4,6,7-tetrahydropyrazolo[3,4-c]pyridin-5-one.
What is the SMILES notation for ethane;3-methyl-2,4,6,7-tetrahydropyrazolo[3,4-c]pyridin-5-one?
The canonical SMILES for ethane;3-methyl-2,4,6,7-tetrahydropyrazolo[3,4-c]pyridin-5-one is CC.Cc1[nH]nc2c1CC(=O)NC2.
What is the InChIKey of ethane;3-methyl-2,4,6,7-tetrahydropyrazolo[3,4-c]pyridin-5-one?
The InChIKey is NGZGQEOGKSXKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O.C2H6/c1-4-5-2-7(11)8-3-6(5)10-9-4;1-2/h2-3H2,1H3,(H,8,11)(H,9,10);1-2H3.
What are the key properties of ethane;3-methyl-2,4,6,7-tetrahydropyrazolo[3,4-c]pyridin-5-one?
ethane;3-methyl-2,4,6,7-tetrahydropyrazolo[3,4-c]pyridin-5-one has a molecular weight of 181.24 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2,4,6,7-tetrahydropyrazolo[3,4-c]pyridin-5-one is sourced from PubChem (CID 144954980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).