1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-propan-2-yloxyethanone

C12H19N3O2 — CID 131913005

IUPAC1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-propan-2-yloxyethanone
SMILESCc1nc2c([nH]1)CN(C(=O)COC(C)C)CC2
InChIInChI=1S/C12H19N3O2/c1-8(2)17-7-12(16)15-5-4-10-11(6-15)14-9(3)13-10/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyUCOTXEYTMXXHOO-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.03
Rot. Bonds3

About 1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-propan-2-yloxyethanone

1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-propan-2-yloxyethanone (PubChem CID 131913005) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-propan-2-yloxyethanone
PubChem CID131913005
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-propan-2-yloxyethanone
SMILESCc1nc2c([nH]1)CN(C(=O)COC(C)C)CC2
InChIInChI=1S/C12H19N3O2/c1-8(2)17-7-12(16)15-5-4-10-11(6-15)14-9(3)13-10/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyUCOTXEYTMXXHOO-UHFFFAOYSA-N
XLogP1.03
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-propan-2-yloxyethanone (CID 131913005) is 1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-propan-2-yloxyethanone is Cc1nc2c([nH]1)CN(C(=O)COC(C)C)CC2.
What is the InChIKey of 1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-propan-2-yloxyethanone?
The InChIKey is UCOTXEYTMXXHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)17-7-12(16)15-5-4-10-11(6-15)14-9(3)13-10/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-propan-2-yloxyethanone?
1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-propan-2-yloxyethanone has a molecular weight of 237.30 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 131913005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).