1-N-[6-(1,3-benzoxazol-6-yl)pyridazin-3-yl]propane-1,2-diamine

C14H15N5O — CID 116970582

IUPAC1-N-[6-(1,3-benzoxazol-6-yl)pyridazin-3-yl]propane-1,2-diamine
SMILESCC(N)CNc1ccc(-c2ccc3ncoc3c2)nn1
InChIInChI=1S/C14H15N5O/c1-9(15)7-16-14-5-4-11(18-19-14)10-2-3-12-13(6-10)20-8-17-12/h2-6,8-9H,7,15H2,1H3,(H,16,19)
InChIKeyJVPIWKUYZVVCHY-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.04
Rot. Bonds4

About 1-N-[6-(1,3-benzoxazol-6-yl)pyridazin-3-yl]propane-1,2-diamine

1-N-[6-(1,3-benzoxazol-6-yl)pyridazin-3-yl]propane-1,2-diamine (PubChem CID 116970582) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-N-[6-(1,3-benzoxazol-6-yl)pyridazin-3-yl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-[6-(1,3-benzoxazol-6-yl)pyridazin-3-yl]propane-1,2-diamine
PubChem CID116970582
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name1-N-[6-(1,3-benzoxazol-6-yl)pyridazin-3-yl]propane-1,2-diamine
SMILESCC(N)CNc1ccc(-c2ccc3ncoc3c2)nn1
InChIInChI=1S/C14H15N5O/c1-9(15)7-16-14-5-4-11(18-19-14)10-2-3-12-13(6-10)20-8-17-12/h2-6,8-9H,7,15H2,1H3,(H,16,19)
InChIKeyJVPIWKUYZVVCHY-UHFFFAOYSA-N
XLogP2.04
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,3-benzoxazol-6-yl)-N-ethylpyridazin-3-amine
CID 116973196
1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine
CID 116970579
1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]propan-2-amine
CID 116876724
[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]methanamine
CID 116892346
2-methyl-N'-[6-(4-methylphenyl)pyridazin-3-yl]propane-1,3-diamine
CID 116970792
1-N-(6-thiophen-2-ylpyridazin-3-yl)propane-1,2-diamine
CID 116970558
1-N-(1,3-benzoxazol-6-ylmethyl)butane-1,3-diamine
CID 115199329
2-amino-2-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanol
CID 116966777
4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine
CID 116900490
1-[2-(1,3-benzoxazol-6-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 116884498
6-propan-2-yl-1,3-benzoxazole
CID 21354846
6-phenyl-1,3-benzoxazole
CID 19026755

Frequently Asked Questions

What is the IUPAC name of 1-N-[6-(1,3-benzoxazol-6-yl)pyridazin-3-yl]propane-1,2-diamine?
The IUPAC name of 1-N-[6-(1,3-benzoxazol-6-yl)pyridazin-3-yl]propane-1,2-diamine (CID 116970582) is 1-N-[6-(1,3-benzoxazol-6-yl)pyridazin-3-yl]propane-1,2-diamine.
What is the SMILES notation for 1-N-[6-(1,3-benzoxazol-6-yl)pyridazin-3-yl]propane-1,2-diamine?
The canonical SMILES for 1-N-[6-(1,3-benzoxazol-6-yl)pyridazin-3-yl]propane-1,2-diamine is CC(N)CNc1ccc(-c2ccc3ncoc3c2)nn1.
What is the InChIKey of 1-N-[6-(1,3-benzoxazol-6-yl)pyridazin-3-yl]propane-1,2-diamine?
The InChIKey is JVPIWKUYZVVCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9(15)7-16-14-5-4-11(18-19-14)10-2-3-12-13(6-10)20-8-17-12/h2-6,8-9H,7,15H2,1H3,(H,16,19).
What are the key properties of 1-N-[6-(1,3-benzoxazol-6-yl)pyridazin-3-yl]propane-1,2-diamine?
1-N-[6-(1,3-benzoxazol-6-yl)pyridazin-3-yl]propane-1,2-diamine has a molecular weight of 269.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[6-(1,3-benzoxazol-6-yl)pyridazin-3-yl]propane-1,2-diamine is sourced from PubChem (CID 116970582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).