4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide

C12H21N5 — CID 21330735

IUPAC4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide
SMILESCCC1c2nc[nH]c2CCN1/C(N)=N/C(C)C
InChIInChI=1S/C12H21N5/c1-4-10-11-9(14-7-15-11)5-6-17(10)12(13)16-8(2)3/h7-8,10H,4-6H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeyQVBCCEOWBGATEV-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.44
Rot. Bonds2

About 4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide

4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide (PubChem CID 21330735) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide.

Molecular Properties

Compound Name4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide
PubChem CID21330735
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide
SMILESCCC1c2nc[nH]c2CCN1/C(N)=N/C(C)C
InChIInChI=1S/C12H21N5/c1-4-10-11-9(14-7-15-11)5-6-17(10)12(13)16-8(2)3/h7-8,10H,4-6H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeyQVBCCEOWBGATEV-UHFFFAOYSA-N
XLogP1.44
TPSA70.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.44
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 4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide?
The IUPAC name of 4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide (CID 21330735) is 4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide.
What is the SMILES notation for 4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide?
The canonical SMILES for 4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide is CCC1c2nc[nH]c2CCN1/C(N)=N/C(C)C.
What is the InChIKey of 4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide?
The InChIKey is QVBCCEOWBGATEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-4-10-11-9(14-7-15-11)5-6-17(10)12(13)16-8(2)3/h7-8,10H,4-6H2,1-3H3,(H2,13,16)(H,14,15).
What are the key properties of 4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide?
4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide has a molecular weight of 235.33 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide is sourced from PubChem (CID 21330735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).