6-(1-methoxyethenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

C9H13N3O — CID 145012317

IUPAC6-(1-methoxyethenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESC=C(OC)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C9H13N3O/c1-6(13-2)7-3-8-9(4-10-7)12-5-11-8/h5,7,10H,1,3-4H2,2H3,(H,11,12)
InChIKeyHSSOQGHTROPZJW-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.58
Rot. Bonds2

About 6-(1-methoxyethenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

6-(1-methoxyethenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 145012317) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-(1-methoxyethenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-(1-methoxyethenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID145012317
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name6-(1-methoxyethenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESC=C(OC)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C9H13N3O/c1-6(13-2)7-3-8-9(4-10-7)12-5-11-8/h5,7,10H,1,3-4H2,2H3,(H,11,12)
InChIKeyHSSOQGHTROPZJW-UHFFFAOYSA-N
XLogP0.58
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79353705
4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
CID 16807503
N-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 74443132
N-[(2-methylpropan-2-yl)oxy]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 82723572
N-[2-(2-methylprop-2-enoxy)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 114467962
N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79354601
N-propan-2-ylsulfonyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 103307867
methyl 2-methyl-3-[methyl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)amino]propanoate
CID 79353829
N-(2-amino-2-oxoethoxy)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 112674235
3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid
CID 79354042
N-(1-methoxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79353693
N-(2,6-dimethylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79353609

Frequently Asked Questions

What is the IUPAC name of 6-(1-methoxyethenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 6-(1-methoxyethenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 145012317) is 6-(1-methoxyethenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 6-(1-methoxyethenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 6-(1-methoxyethenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is C=C(OC)C1Cc2nc[nH]c2CN1.
What is the InChIKey of 6-(1-methoxyethenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is HSSOQGHTROPZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6(13-2)7-3-8-9(4-10-7)12-5-11-8/h5,7,10H,1,3-4H2,2H3,(H,11,12).
What are the key properties of 6-(1-methoxyethenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
6-(1-methoxyethenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 179.22 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methoxyethenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145012317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).