4-(aziridin-1-yl)-2-methyl-1H-imidazo[4,5-c]pyridine

C9H10N4 — CID 142881193

IUPAC4-(aziridin-1-yl)-2-methyl-1H-imidazo[4,5-c]pyridine
SMILESCc1nc2c(N3CC3)nccc2[nH]1
InChIInChI=1S/C9H10N4/c1-6-11-7-2-3-10-9(8(7)12-6)13-4-5-13/h2-3H,4-5H2,1H3,(H,11,12)
InChIKeyJOQJVVKJEPQZIV-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.09
Rot. Bonds1

About 4-(aziridin-1-yl)-2-methyl-1H-imidazo[4,5-c]pyridine

4-(aziridin-1-yl)-2-methyl-1H-imidazo[4,5-c]pyridine (PubChem CID 142881193) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 4-(aziridin-1-yl)-2-methyl-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(aziridin-1-yl)-2-methyl-1H-imidazo[4,5-c]pyridine
PubChem CID142881193
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name4-(aziridin-1-yl)-2-methyl-1H-imidazo[4,5-c]pyridine
SMILESCc1nc2c(N3CC3)nccc2[nH]1
InChIInChI=1S/C9H10N4/c1-6-11-7-2-3-10-9(8(7)12-6)13-4-5-13/h2-3H,4-5H2,1H3,(H,11,12)
InChIKeyJOQJVVKJEPQZIV-UHFFFAOYSA-N
XLogP1.09
TPSA44.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(aziridin-1-yl)-2-methyl-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(aziridin-1-yl)-2-methyl-1H-imidazo[4,5-c]pyridine (CID 142881193) is 4-(aziridin-1-yl)-2-methyl-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(aziridin-1-yl)-2-methyl-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(aziridin-1-yl)-2-methyl-1H-imidazo[4,5-c]pyridine is Cc1nc2c(N3CC3)nccc2[nH]1.
What is the InChIKey of 4-(aziridin-1-yl)-2-methyl-1H-imidazo[4,5-c]pyridine?
The InChIKey is JOQJVVKJEPQZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-6-11-7-2-3-10-9(8(7)12-6)13-4-5-13/h2-3H,4-5H2,1H3,(H,11,12).
What are the key properties of 4-(aziridin-1-yl)-2-methyl-1H-imidazo[4,5-c]pyridine?
4-(aziridin-1-yl)-2-methyl-1H-imidazo[4,5-c]pyridine has a molecular weight of 174.21 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aziridin-1-yl)-2-methyl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 142881193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).