2-N-(6-pyridin-3-ylpyridazin-3-yl)propane-1,2-diamine

C12H15N5 — CID 116970540

IUPAC2-N-(6-pyridin-3-ylpyridazin-3-yl)propane-1,2-diamine
SMILESCC(CN)Nc1ccc(-c2cccnc2)nn1
InChIInChI=1S/C12H15N5/c1-9(7-13)15-12-5-4-11(16-17-12)10-3-2-6-14-8-10/h2-6,8-9H,7,13H2,1H3,(H,15,17)
InChIKeyLMHUKUBVIBYLSX-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.30
Rot. Bonds4

About 2-N-(6-pyridin-3-ylpyridazin-3-yl)propane-1,2-diamine

2-N-(6-pyridin-3-ylpyridazin-3-yl)propane-1,2-diamine (PubChem CID 116970540) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-N-(6-pyridin-3-ylpyridazin-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6-pyridin-3-ylpyridazin-3-yl)propane-1,2-diamine
PubChem CID116970540
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name2-N-(6-pyridin-3-ylpyridazin-3-yl)propane-1,2-diamine
SMILESCC(CN)Nc1ccc(-c2cccnc2)nn1
InChIInChI=1S/C12H15N5/c1-9(7-13)15-12-5-4-11(16-17-12)10-3-2-6-14-8-10/h2-6,8-9H,7,13H2,1H3,(H,15,17)
InChIKeyLMHUKUBVIBYLSX-UHFFFAOYSA-N
XLogP1.30
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-pyridin-3-ylpyridazin-3-yl)amino]propanoic acid
CID 116971458
N-(3-methyl-1-pyridin-3-ylbutyl)-6-phenylpyridazin-3-amine
CID 134697190
3-phenyl-6-pyridin-3-ylpyridazine
CID 12712239
3-methyl-6-pyridin-3-ylpyridazine
CID 89161646
N-[2-(2-chlorophenyl)-2-methylpropyl]-6-pyridin-3-ylpyridazin-3-amine
CID 67452963
2-N-(6-ethylpyridazin-3-yl)propane-1,2-diamine
CID 83828270
2-N-[6-(3-methylthiophen-2-yl)pyridazin-3-yl]propane-1,2-diamine
CID 116970554
3-N-[6-(4-bromophenyl)pyridazin-3-yl]butane-1,3-diamine
CID 116970760
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 104868129
6-(1-aminopropan-2-ylamino)pyridine-3-carboxamide
CID 63732982
N-(6-phenylpyridazin-3-yl)pyridine-3-sulfonamide
CID 86806095

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-pyridin-3-ylpyridazin-3-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(6-pyridin-3-ylpyridazin-3-yl)propane-1,2-diamine (CID 116970540) is 2-N-(6-pyridin-3-ylpyridazin-3-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(6-pyridin-3-ylpyridazin-3-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(6-pyridin-3-ylpyridazin-3-yl)propane-1,2-diamine is CC(CN)Nc1ccc(-c2cccnc2)nn1.
What is the InChIKey of 2-N-(6-pyridin-3-ylpyridazin-3-yl)propane-1,2-diamine?
The InChIKey is LMHUKUBVIBYLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-9(7-13)15-12-5-4-11(16-17-12)10-3-2-6-14-8-10/h2-6,8-9H,7,13H2,1H3,(H,15,17).
What are the key properties of 2-N-(6-pyridin-3-ylpyridazin-3-yl)propane-1,2-diamine?
2-N-(6-pyridin-3-ylpyridazin-3-yl)propane-1,2-diamine has a molecular weight of 229.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-pyridin-3-ylpyridazin-3-yl)propane-1,2-diamine is sourced from PubChem (CID 116970540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).