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

C12H22BrN5 — CID 21330761

IUPAC4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide
SMILESBr.CCC1c2nc[nH]c2CCN1/C(N)=N/C(C)C
InChIInChI=1S/C12H21N5.BrH/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);1H
InChIKeyDSKCWWSWAMOKEB-UHFFFAOYSA-N
MW316.25 g/mol
LogP2.02
Rot. Bonds2

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

4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide (PubChem CID 21330761) has the molecular formula C12H22BrN5 and a molecular weight of 316.25 g/mol. Its IUPAC name is 4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide.

Molecular Properties

Compound Name4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide
PubChem CID21330761
Molecular FormulaC12H22BrN5
Molecular Weight316.25 g/mol
Exact Mass315.11
IUPAC Name4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide
SMILESBr.CCC1c2nc[nH]c2CCN1/C(N)=N/C(C)C
InChIInChI=1S/C12H21N5.BrH/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);1H
InChIKeyDSKCWWSWAMOKEB-UHFFFAOYSA-N
XLogP2.02
TPSA70.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 52.02
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;hydrobromide?
The IUPAC name of 4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide (CID 21330761) is 4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide.
What is the SMILES notation for 4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide?
The canonical SMILES for 4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide is Br.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;hydrobromide?
The InChIKey is DSKCWWSWAMOKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5.BrH/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);1H.
What are the key properties of 4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide?
4-ethyl-N'-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide has a molecular weight of 316.25 g/mol, XLogP of 2.02, 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;hydrobromide is sourced from PubChem (CID 21330761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).