3,5,6-trimethyl-2,4,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

C9H17N3 — CID 149027435

IUPAC3,5,6-trimethyl-2,4,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCC1CC2=C(CN1C)N(C)CN2
InChIInChI=1S/C9H17N3/c1-7-4-8-9(5-11(7)2)12(3)6-10-8/h7,10H,4-6H2,1-3H3
InChIKeyQERJUGWXQWCRAJ-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.41
Rot. Bonds

About 3,5,6-trimethyl-2,4,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

3,5,6-trimethyl-2,4,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 149027435) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 3,5,6-trimethyl-2,4,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3,5,6-trimethyl-2,4,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID149027435
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name3,5,6-trimethyl-2,4,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCC1CC2=C(CN1C)N(C)CN2
InChIInChI=1S/C9H17N3/c1-7-4-8-9(5-11(7)2)12(3)6-10-8/h7,10H,4-6H2,1-3H3
InChIKeyQERJUGWXQWCRAJ-UHFFFAOYSA-N
XLogP0.41
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-2,4,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 3,5,6-trimethyl-2,4,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 149027435) is 3,5,6-trimethyl-2,4,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 3,5,6-trimethyl-2,4,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 3,5,6-trimethyl-2,4,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is CC1CC2=C(CN1C)N(C)CN2.
What is the InChIKey of 3,5,6-trimethyl-2,4,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is QERJUGWXQWCRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7-4-8-9(5-11(7)2)12(3)6-10-8/h7,10H,4-6H2,1-3H3.
What are the key properties of 3,5,6-trimethyl-2,4,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
3,5,6-trimethyl-2,4,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 167.26 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-2,4,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 149027435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).