N'-[6-(3H-benzimidazol-5-yl)pyridazin-3-yl]-N'-methylethane-1,2-diamine

C14H16N6 — CID 116973259

IUPACN'-[6-(3H-benzimidazol-5-yl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1ccc(-c2ccc3nc[nH]c3c2)nn1
InChIInChI=1S/C14H16N6/c1-20(7-6-15)14-5-4-11(18-19-14)10-2-3-12-13(8-10)17-9-16-12/h2-5,8-9H,6-7,15H2,1H3,(H,16,17)
InChIKeyUGTATTNBJXZDSR-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.41
Rot. Bonds4

About N'-[6-(3H-benzimidazol-5-yl)pyridazin-3-yl]-N'-methylethane-1,2-diamine

N'-[6-(3H-benzimidazol-5-yl)pyridazin-3-yl]-N'-methylethane-1,2-diamine (PubChem CID 116973259) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is N'-[6-(3H-benzimidazol-5-yl)pyridazin-3-yl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-(3H-benzimidazol-5-yl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
PubChem CID116973259
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC NameN'-[6-(3H-benzimidazol-5-yl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1ccc(-c2ccc3nc[nH]c3c2)nn1
InChIInChI=1S/C14H16N6/c1-20(7-6-15)14-5-4-11(18-19-14)10-2-3-12-13(8-10)17-9-16-12/h2-5,8-9H,6-7,15H2,1H3,(H,16,17)
InChIKeyUGTATTNBJXZDSR-UHFFFAOYSA-N
XLogP1.41
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 116973263
N'-[6-(4-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
CID 116973243
3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-amine
CID 116898218
2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892604
[6-(3H-benzimidazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine
CID 116822398
N'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine
CID 103102145
4-[3H-benzimidazol-5-yl(methyl)amino]butanenitrile
CID 115231610
N'-(3H-benzimidazol-5-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201335
2-[3H-benzimidazol-5-yl(methyl)amino]ethanol
CID 115216158
6-(1-ethyltriazol-4-yl)-1H-benzimidazole
CID 118693287
3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120132
5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine
CID 82491411

Frequently Asked Questions

What is the IUPAC name of N'-[6-(3H-benzimidazol-5-yl)pyridazin-3-yl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[6-(3H-benzimidazol-5-yl)pyridazin-3-yl]-N'-methylethane-1,2-diamine (CID 116973259) is N'-[6-(3H-benzimidazol-5-yl)pyridazin-3-yl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[6-(3H-benzimidazol-5-yl)pyridazin-3-yl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[6-(3H-benzimidazol-5-yl)pyridazin-3-yl]-N'-methylethane-1,2-diamine is CN(CCN)c1ccc(-c2ccc3nc[nH]c3c2)nn1.
What is the InChIKey of N'-[6-(3H-benzimidazol-5-yl)pyridazin-3-yl]-N'-methylethane-1,2-diamine?
The InChIKey is UGTATTNBJXZDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-20(7-6-15)14-5-4-11(18-19-14)10-2-3-12-13(8-10)17-9-16-12/h2-5,8-9H,6-7,15H2,1H3,(H,16,17).
What are the key properties of N'-[6-(3H-benzimidazol-5-yl)pyridazin-3-yl]-N'-methylethane-1,2-diamine?
N'-[6-(3H-benzimidazol-5-yl)pyridazin-3-yl]-N'-methylethane-1,2-diamine has a molecular weight of 268.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(3H-benzimidazol-5-yl)pyridazin-3-yl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 116973259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).