4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrochloride

C9H16ClN5 — CID 21330720

IUPAC4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CCc2[nH]cnc2C1CC
InChIInChI=1S/C9H15N5.ClH/c1-2-7-8-6(12-5-13-8)3-4-14(7)9(10)11;/h5,7H,2-4H2,1H3,(H3,10,11)(H,12,13);1H
InChIKeyVQRNCCNNOPBNCJ-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.03
Rot. Bonds1

About 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrochloride

4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrochloride (PubChem CID 21330720) has the molecular formula C9H16ClN5 and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrochloride.

Molecular Properties

Compound Name4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrochloride
PubChem CID21330720
Molecular FormulaC9H16ClN5
Molecular Weight229.71 g/mol
Exact Mass229.11
IUPAC Name4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CCc2[nH]cnc2C1CC
InChIInChI=1S/C9H15N5.ClH/c1-2-7-8-6(12-5-13-8)3-4-14(7)9(10)11;/h5,7H,2-4H2,1H3,(H3,10,11)(H,12,13);1H
InChIKeyVQRNCCNNOPBNCJ-UHFFFAOYSA-N
XLogP1.03
TPSA81.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.03
H-Bond Donors ≤ 53
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 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrochloride?
The IUPAC name of 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrochloride (CID 21330720) is 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrochloride.
What is the SMILES notation for 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrochloride?
The canonical SMILES for 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)N1CCc2[nH]cnc2C1CC.
What is the InChIKey of 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrochloride?
The InChIKey is VQRNCCNNOPBNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5.ClH/c1-2-7-8-6(12-5-13-8)3-4-14(7)9(10)11;/h5,7H,2-4H2,1H3,(H3,10,11)(H,12,13);1H.
What are the key properties of 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrochloride?
4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrochloride is sourced from PubChem (CID 21330720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).