N'-ethyl-N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)-N'-methylethane-1,2-diamine

C12H19N5 — CID 114135100

IUPACN'-ethyl-N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNCc1ccnc2nc[nH]c12
InChIInChI=1S/C12H19N5/c1-3-17(2)7-6-13-8-10-4-5-14-12-11(10)15-9-16-12/h4-5,9,13H,3,6-8H2,1-2H3,(H,14,15,16)
InChIKeyZUDRDBZUIYGHHI-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.00
Rot. Bonds6

About N'-ethyl-N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)-N'-methylethane-1,2-diamine

N'-ethyl-N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)-N'-methylethane-1,2-diamine (PubChem CID 114135100) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N'-ethyl-N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)-N'-methylethane-1,2-diamine
PubChem CID114135100
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN'-ethyl-N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNCc1ccnc2nc[nH]c12
InChIInChI=1S/C12H19N5/c1-3-17(2)7-6-13-8-10-4-5-14-12-11(10)15-9-16-12/h4-5,9,13H,3,6-8H2,1-2H3,(H,14,15,16)
InChIKeyZUDRDBZUIYGHHI-UHFFFAOYSA-N
XLogP1.00
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)-N'-methylethane-1,2-diamine (CID 114135100) is N'-ethyl-N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)-N'-methylethane-1,2-diamine is CCN(C)CCNCc1ccnc2nc[nH]c12.
What is the InChIKey of N'-ethyl-N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)-N'-methylethane-1,2-diamine?
The InChIKey is ZUDRDBZUIYGHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-3-17(2)7-6-13-8-10-4-5-14-12-11(10)15-9-16-12/h4-5,9,13H,3,6-8H2,1-2H3,(H,14,15,16).
What are the key properties of N'-ethyl-N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)-N'-methylethane-1,2-diamine?
N'-ethyl-N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)-N'-methylethane-1,2-diamine has a molecular weight of 233.32 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 114135100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).