(3aS)-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine

C6H7N3 — CID 176527524

IUPAC(3aS)-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine
SMILESC1=CC2NC=N[C@@H]2C=N1
InChIInChI=1S/C6H7N3/c1-2-7-3-6-5(1)8-4-9-6/h1-6H,(H,8,9)/t5?,6-/m1/s1
InChIKeyQYSHVORUQQRXCH-PRJDIBJQSA-N
MW121.14 g/mol
LogP-0.05
Rot. Bonds

About (3aS)-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine

(3aS)-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine (PubChem CID 176527524) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is (3aS)-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(3aS)-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine
PubChem CID176527524
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name(3aS)-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine
SMILESC1=CC2NC=N[C@@H]2C=N1
InChIInChI=1S/C6H7N3/c1-2-7-3-6-5(1)8-4-9-6/h1-6H,(H,8,9)/t5?,6-/m1/s1
InChIKeyQYSHVORUQQRXCH-PRJDIBJQSA-N
XLogP-0.05
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS)-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of (3aS)-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine (CID 176527524) is (3aS)-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for (3aS)-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for (3aS)-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine is C1=CC2NC=N[C@@H]2C=N1.
What is the InChIKey of (3aS)-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is QYSHVORUQQRXCH-PRJDIBJQSA-N. The full InChI is InChI=1S/C6H7N3/c1-2-7-3-6-5(1)8-4-9-6/h1-6H,(H,8,9)/t5?,6-/m1/s1.
What are the key properties of (3aS)-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine?
(3aS)-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 121.14 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 176527524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).