1-N,3-dimethyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]butane-1,3-diamine

C14H21N5 — CID 116973472

IUPAC1-N,3-dimethyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]butane-1,3-diamine
SMILESCN(CCC(C)(C)N)c1ccc(-c2cc[nH]c2)nn1
InChIInChI=1S/C14H21N5/c1-14(2,15)7-9-19(3)13-5-4-12(17-18-13)11-6-8-16-10-11/h4-6,8,10,16H,7,9,15H2,1-3H3
InChIKeyVUHVMZDMZDUMLU-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.04
Rot. Bonds5

About 1-N,3-dimethyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]butane-1,3-diamine

1-N,3-dimethyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]butane-1,3-diamine (PubChem CID 116973472) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 1-N,3-dimethyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-dimethyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]butane-1,3-diamine
PubChem CID116973472
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name1-N,3-dimethyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]butane-1,3-diamine
SMILESCN(CCC(C)(C)N)c1ccc(-c2cc[nH]c2)nn1
InChIInChI=1S/C14H21N5/c1-14(2,15)7-9-19(3)13-5-4-12(17-18-13)11-6-8-16-10-11/h4-6,8,10,16H,7,9,15H2,1-3H3
InChIKeyVUHVMZDMZDUMLU-UHFFFAOYSA-N
XLogP2.04
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol
CID 116973631
3-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propan-1-ol
CID 116973670
1-N-methyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]propane-1,2-diamine
CID 116973327
1-N,3-dimethyl-1-N-(1H-pyrrol-3-yl)butane-1,3-diamine
CID 115200501
N'-[6-(4-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
CID 116973243
3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol
CID 116973666
2,2-dimethyl-3-[[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propanoic acid
CID 116971527
3-methyl-3-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]butan-1-amine
CID 116965180
3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol
CID 116973664
3-[methyl-[6-(4-methylphenyl)pyridazin-3-yl]amino]propanenitrile
CID 116973930
1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine
CID 10797840
N'-[6-(3H-benzimidazol-5-yl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
CID 116973259

Frequently Asked Questions

What is the IUPAC name of 1-N,3-dimethyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]butane-1,3-diamine?
The IUPAC name of 1-N,3-dimethyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]butane-1,3-diamine (CID 116973472) is 1-N,3-dimethyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]butane-1,3-diamine.
What is the SMILES notation for 1-N,3-dimethyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]butane-1,3-diamine?
The canonical SMILES for 1-N,3-dimethyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]butane-1,3-diamine is CN(CCC(C)(C)N)c1ccc(-c2cc[nH]c2)nn1.
What is the InChIKey of 1-N,3-dimethyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]butane-1,3-diamine?
The InChIKey is VUHVMZDMZDUMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-14(2,15)7-9-19(3)13-5-4-12(17-18-13)11-6-8-16-10-11/h4-6,8,10,16H,7,9,15H2,1-3H3.
What are the key properties of 1-N,3-dimethyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]butane-1,3-diamine?
1-N,3-dimethyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]butane-1,3-diamine has a molecular weight of 259.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-dimethyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]butane-1,3-diamine is sourced from PubChem (CID 116973472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).