(3-methyl-4,5,6,7-tetrahydroimidazo[4,5-b]pyridin-2-yl)methanol

C8H13N3O — CID 83438739

IUPAC(3-methyl-4,5,6,7-tetrahydroimidazo[4,5-b]pyridin-2-yl)methanol
SMILESCn1c(CO)nc2c1NCCC2
InChIInChI=1S/C8H13N3O/c1-11-7(5-12)10-6-3-2-4-9-8(6)11/h9,12H,2-5H2,1H3
InChIKeyYBXGZKHTHYYLLF-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.27
Rot. Bonds1

About (3-methyl-4,5,6,7-tetrahydroimidazo[4,5-b]pyridin-2-yl)methanol

(3-methyl-4,5,6,7-tetrahydroimidazo[4,5-b]pyridin-2-yl)methanol (PubChem CID 83438739) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (3-methyl-4,5,6,7-tetrahydroimidazo[4,5-b]pyridin-2-yl)methanol.

Molecular Properties

Compound Name(3-methyl-4,5,6,7-tetrahydroimidazo[4,5-b]pyridin-2-yl)methanol
PubChem CID83438739
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(3-methyl-4,5,6,7-tetrahydroimidazo[4,5-b]pyridin-2-yl)methanol
SMILESCn1c(CO)nc2c1NCCC2
InChIInChI=1S/C8H13N3O/c1-11-7(5-12)10-6-3-2-4-9-8(6)11/h9,12H,2-5H2,1H3
InChIKeyYBXGZKHTHYYLLF-UHFFFAOYSA-N
XLogP0.27
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-4,5,6,7-tetrahydroimidazo[4,5-b]pyridin-2-yl)methanol?
The IUPAC name of (3-methyl-4,5,6,7-tetrahydroimidazo[4,5-b]pyridin-2-yl)methanol (CID 83438739) is (3-methyl-4,5,6,7-tetrahydroimidazo[4,5-b]pyridin-2-yl)methanol.
What is the SMILES notation for (3-methyl-4,5,6,7-tetrahydroimidazo[4,5-b]pyridin-2-yl)methanol?
The canonical SMILES for (3-methyl-4,5,6,7-tetrahydroimidazo[4,5-b]pyridin-2-yl)methanol is Cn1c(CO)nc2c1NCCC2.
What is the InChIKey of (3-methyl-4,5,6,7-tetrahydroimidazo[4,5-b]pyridin-2-yl)methanol?
The InChIKey is YBXGZKHTHYYLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11-7(5-12)10-6-3-2-4-9-8(6)11/h9,12H,2-5H2,1H3.
What are the key properties of (3-methyl-4,5,6,7-tetrahydroimidazo[4,5-b]pyridin-2-yl)methanol?
(3-methyl-4,5,6,7-tetrahydroimidazo[4,5-b]pyridin-2-yl)methanol has a molecular weight of 167.21 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4,5,6,7-tetrahydroimidazo[4,5-b]pyridin-2-yl)methanol is sourced from PubChem (CID 83438739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).