1-cyclopropyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C9H13N3 — CID 47002848

IUPAC1-cyclopropyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1nc2c(n1C1CC1)CCNC2
InChIInChI=1S/C9H13N3/c1-2-7(1)12-6-11-8-5-10-4-3-9(8)12/h6-7,10H,1-5H2
InChIKeyIJAJWDVNQRQBJG-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.86
Rot. Bonds1

About 1-cyclopropyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-cyclopropyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 47002848) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-cyclopropyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-cyclopropyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID47002848
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1-cyclopropyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1nc2c(n1C1CC1)CCNC2
InChIInChI=1S/C9H13N3/c1-2-7(1)12-6-11-8-5-10-4-3-9(8)12/h6-7,10H,1-5H2
InChIKeyIJAJWDVNQRQBJG-UHFFFAOYSA-N
XLogP0.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-cyclopropyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 47002848) is 1-cyclopropyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-cyclopropyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-cyclopropyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is c1nc2c(n1C1CC1)CCNC2.
What is the InChIKey of 1-cyclopropyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is IJAJWDVNQRQBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-7(1)12-6-11-8-5-10-4-3-9(8)12/h6-7,10H,1-5H2.
What are the key properties of 1-cyclopropyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-cyclopropyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 163.22 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 47002848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).