5,7-dimethyl-3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridin-6-one

C8H13N3O — CID 142046468

IUPAC5,7-dimethyl-3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridin-6-one
SMILESCC1C(=O)N(C)CC2NC=NC21
InChIInChI=1S/C8H13N3O/c1-5-7-6(9-4-10-7)3-11(2)8(5)12/h4-7H,3H2,1-2H3,(H,9,10)
InChIKeyQQQKHUNKUMPETJ-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.54
Rot. Bonds

About 5,7-dimethyl-3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridin-6-one

5,7-dimethyl-3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridin-6-one (PubChem CID 142046468) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5,7-dimethyl-3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridin-6-one.

Molecular Properties

Compound Name5,7-dimethyl-3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridin-6-one
PubChem CID142046468
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5,7-dimethyl-3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridin-6-one
SMILESCC1C(=O)N(C)CC2NC=NC21
InChIInChI=1S/C8H13N3O/c1-5-7-6(9-4-10-7)3-11(2)8(5)12/h4-7H,3H2,1-2H3,(H,9,10)
InChIKeyQQQKHUNKUMPETJ-UHFFFAOYSA-N
XLogP-0.54
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-Dimethyl-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridine-4,6-dione
CID 11171339
3,5,7-trimethyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione
CID 59810600
1,3a,5,6,7,7a-Hexahydroimidazo[4,5-c]pyridin-4-one
CID 69558919
7-amino-7-methyl-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine-4,6-dione
CID 89222833
3,7-dimethyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione
CID 89578667
3-(4,5-Dihydroimidazole-1-carbonyl)piperidin-2-one
CID 168237606
N'-methyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboximidamide
CID 103196488
5-oxo-N'-propyl-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboximidamide
CID 103196493
5-oxo-N'-propan-2-yl-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboximidamide
CID 103196495
N'-ethyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboximidamide
CID 103196496
N'-(2-methylpropyl)-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboximidamide
CID 113786761
5-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide
CID 141967996

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridin-6-one?
The IUPAC name of 5,7-dimethyl-3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridin-6-one (CID 142046468) is 5,7-dimethyl-3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridin-6-one.
What is the SMILES notation for 5,7-dimethyl-3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridin-6-one?
The canonical SMILES for 5,7-dimethyl-3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridin-6-one is CC1C(=O)N(C)CC2NC=NC21.
What is the InChIKey of 5,7-dimethyl-3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridin-6-one?
The InChIKey is QQQKHUNKUMPETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5-7-6(9-4-10-7)3-11(2)8(5)12/h4-7H,3H2,1-2H3,(H,9,10).
What are the key properties of 5,7-dimethyl-3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridin-6-one?
5,7-dimethyl-3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridin-6-one has a molecular weight of 167.21 g/mol, XLogP of -0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridin-6-one is sourced from PubChem (CID 142046468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).