ethane;6-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methylpyridazin-3-amine

C16H20N6O — CID 156844905

IUPACethane;6-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methylpyridazin-3-amine
SMILESCC.CNc1ccc(-c2ccc(-c3cn[nH]c3)c(OC)n2)nn1
InChIInChI=1S/C14H14N6O.C2H6/c1-15-13-6-5-12(19-20-13)11-4-3-10(14(18-11)21-2)9-7-16-17-8-9;1-2/h3-8H,1-2H3,(H,15,20)(H,16,17);1-2H3
InChIKeyJSPCWNUMHOMSAQ-UHFFFAOYSA-N
MW312.38 g/mol
LogP3.01
Rot. Bonds4

About ethane;6-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methylpyridazin-3-amine

ethane;6-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methylpyridazin-3-amine (PubChem CID 156844905) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is ethane;6-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methylpyridazin-3-amine.

Molecular Properties

Compound Nameethane;6-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methylpyridazin-3-amine
PubChem CID156844905
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Nameethane;6-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methylpyridazin-3-amine
SMILESCC.CNc1ccc(-c2ccc(-c3cn[nH]c3)c(OC)n2)nn1
InChIInChI=1S/C14H14N6O.C2H6/c1-15-13-6-5-12(19-20-13)11-4-3-10(14(18-11)21-2)9-7-16-17-8-9;1-2/h3-8H,1-2H3,(H,15,20)(H,16,17);1-2H3
InChIKeyJSPCWNUMHOMSAQ-UHFFFAOYSA-N
XLogP3.01
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;6-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methylpyridazin-3-amine?
The IUPAC name of ethane;6-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methylpyridazin-3-amine (CID 156844905) is ethane;6-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methylpyridazin-3-amine.
What is the SMILES notation for ethane;6-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methylpyridazin-3-amine?
The canonical SMILES for ethane;6-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methylpyridazin-3-amine is CC.CNc1ccc(-c2ccc(-c3cn[nH]c3)c(OC)n2)nn1.
What is the InChIKey of ethane;6-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methylpyridazin-3-amine?
The InChIKey is JSPCWNUMHOMSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O.C2H6/c1-15-13-6-5-12(19-20-13)11-4-3-10(14(18-11)21-2)9-7-16-17-8-9;1-2/h3-8H,1-2H3,(H,15,20)(H,16,17);1-2H3.
What are the key properties of ethane;6-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methylpyridazin-3-amine?
ethane;6-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methylpyridazin-3-amine has a molecular weight of 312.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methylpyridazin-3-amine is sourced from PubChem (CID 156844905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).