4,4-dimethyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C9H13N3O2 — CID 19783594

IUPAC4,4-dimethyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC1(C)NC(C(=O)O)Cc2[nH]cnc21
InChIInChI=1S/C9H13N3O2/c1-9(2)7-5(10-4-11-7)3-6(12-9)8(13)14/h4,6,12H,3H2,1-2H3,(H,10,11)(H,13,14)
InChIKeyGEIVMXAPNPSLON-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.24
Rot. Bonds1

About 4,4-dimethyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

4,4-dimethyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 19783594) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4,4-dimethyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4,4-dimethyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID19783594
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4,4-dimethyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC1(C)NC(C(=O)O)Cc2[nH]cnc21
InChIInChI=1S/C9H13N3O2/c1-9(2)7-5(10-4-11-7)3-6(12-9)8(13)14/h4,6,12H,3H2,1-2H3,(H,10,11)(H,13,14)
InChIKeyGEIVMXAPNPSLON-UHFFFAOYSA-N
XLogP0.24
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 4,4-dimethyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 19783594) is 4,4-dimethyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4,4-dimethyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4,4-dimethyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is CC1(C)NC(C(=O)O)Cc2[nH]cnc21.
What is the InChIKey of 4,4-dimethyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is GEIVMXAPNPSLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-9(2)7-5(10-4-11-7)3-6(12-9)8(13)14/h4,6,12H,3H2,1-2H3,(H,10,11)(H,13,14).
What are the key properties of 4,4-dimethyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
4,4-dimethyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 19783594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).