(2-methyloxolan-2-yl)-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C13H19N3O2 — CID 119064820

IUPAC(2-methyloxolan-2-yl)-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCc1nc2c([nH]1)CN(C(=O)C1(C)CCCO1)CC2
InChIInChI=1S/C13H19N3O2/c1-9-14-10-4-6-16(8-11(10)15-9)12(17)13(2)5-3-7-18-13/h3-8H2,1-2H3,(H,14,15)
InChIKeyHPKZXPUTACKGFR-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.17
Rot. Bonds1

About (2-methyloxolan-2-yl)-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

(2-methyloxolan-2-yl)-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 119064820) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2-methyloxolan-2-yl)-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-methyloxolan-2-yl)-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID119064820
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2-methyloxolan-2-yl)-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCc1nc2c([nH]1)CN(C(=O)C1(C)CCCO1)CC2
InChIInChI=1S/C13H19N3O2/c1-9-14-10-4-6-16(8-11(10)15-9)12(17)13(2)5-3-7-18-13/h3-8H2,1-2H3,(H,14,15)
InChIKeyHPKZXPUTACKGFR-UHFFFAOYSA-N
XLogP1.17
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-2-yl)-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (2-methyloxolan-2-yl)-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 119064820) is (2-methyloxolan-2-yl)-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2-methyloxolan-2-yl)-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (2-methyloxolan-2-yl)-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is Cc1nc2c([nH]1)CN(C(=O)C1(C)CCCO1)CC2.
What is the InChIKey of (2-methyloxolan-2-yl)-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is HPKZXPUTACKGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-14-10-4-6-16(8-11(10)15-9)12(17)13(2)5-3-7-18-13/h3-8H2,1-2H3,(H,14,15).
What are the key properties of (2-methyloxolan-2-yl)-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
(2-methyloxolan-2-yl)-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-2-yl)-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 119064820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).