2-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid

C8H11N3O2 — CID 82408533

IUPAC2-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
SMILESCc1nc2c([nH]1)CCNC2C(=O)O
InChIInChI=1S/C8H11N3O2/c1-4-10-5-2-3-9-7(8(12)13)6(5)11-4/h7,9H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyDHAFWJPFVGZHKF-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.01
Rot. Bonds1

About 2-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid

2-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 82408533) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
PubChem CID82408533
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
SMILESCc1nc2c([nH]1)CCNC2C(=O)O
InChIInChI=1S/C8H11N3O2/c1-4-10-5-2-3-9-7(8(12)13)6(5)11-4/h7,9H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyDHAFWJPFVGZHKF-UHFFFAOYSA-N
XLogP-0.01
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid (CID 82408533) is 2-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid is Cc1nc2c([nH]1)CCNC2C(=O)O.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
The InChIKey is DHAFWJPFVGZHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4-10-5-2-3-9-7(8(12)13)6(5)11-4/h7,9H,2-3H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
2-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of -0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 82408533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).