N'-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide

C9H15N5 — CID 21330726

IUPACN'-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide
SMILESCC/N=C(\N)N1CCc2nc[nH]c2C1
InChIInChI=1S/C9H15N5/c1-2-11-9(10)14-4-3-7-8(5-14)13-6-12-7/h6H,2-5H2,1H3,(H2,10,11)(H,12,13)
InChIKeyMVCHBRBPJQFEAP-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.10
Rot. Bonds1

About N'-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide

N'-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide (PubChem CID 21330726) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is N'-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide
PubChem CID21330726
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC NameN'-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide
SMILESCC/N=C(\N)N1CCc2nc[nH]c2C1
InChIInChI=1S/C9H15N5/c1-2-11-9(10)14-4-3-7-8(5-14)13-6-12-7/h6H,2-5H2,1H3,(H2,10,11)(H,12,13)
InChIKeyMVCHBRBPJQFEAP-UHFFFAOYSA-N
XLogP0.10
TPSA70.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide?
The IUPAC name of N'-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide (CID 21330726) is N'-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide.
What is the SMILES notation for N'-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide?
The canonical SMILES for N'-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide is CC/N=C(\N)N1CCc2nc[nH]c2C1.
What is the InChIKey of N'-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide?
The InChIKey is MVCHBRBPJQFEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-2-11-9(10)14-4-3-7-8(5-14)13-6-12-7/h6H,2-5H2,1H3,(H2,10,11)(H,12,13).
What are the key properties of N'-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide?
N'-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide has a molecular weight of 193.25 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide is sourced from PubChem (CID 21330726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).