3-methyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one

C11H17N3O — CID 53145211

IUPAC3-methyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one
SMILESCC(C)CC(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C11H17N3O/c1-8(2)5-11(15)14-4-3-9-10(6-14)13-7-12-9/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyKYZGFHANKACSSK-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.34
Rot. Bonds2

About 3-methyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one

3-methyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one (PubChem CID 53145211) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-methyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one.

Molecular Properties

Compound Name3-methyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one
PubChem CID53145211
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-methyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one
SMILESCC(C)CC(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C11H17N3O/c1-8(2)5-11(15)14-4-3-9-10(6-14)13-7-12-9/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyKYZGFHANKACSSK-UHFFFAOYSA-N
XLogP1.34
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one?
The IUPAC name of 3-methyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one (CID 53145211) is 3-methyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one.
What is the SMILES notation for 3-methyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one?
The canonical SMILES for 3-methyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one is CC(C)CC(=O)N1CCc2nc[nH]c2C1.
What is the InChIKey of 3-methyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one?
The InChIKey is KYZGFHANKACSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)5-11(15)14-4-3-9-10(6-14)13-7-12-9/h7-8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-methyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one?
3-methyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one has a molecular weight of 207.28 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one is sourced from PubChem (CID 53145211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).