1-[6-(4-propan-2-ylimidazol-1-yl)pyridazin-3-yl]imidazole-4-carbonitrile

C14H13N7 — CID 162723311

IUPAC1-[6-(4-propan-2-ylimidazol-1-yl)pyridazin-3-yl]imidazole-4-carbonitrile
SMILESCC(C)c1cn(-c2ccc(-n3cnc(C#N)c3)nn2)cn1
InChIInChI=1S/C14H13N7/c1-10(2)12-7-21(9-17-12)14-4-3-13(18-19-14)20-6-11(5-15)16-8-20/h3-4,6-10H,1-2H3
InChIKeyRRGWWDPAOWZERG-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.84
Rot. Bonds3

About 1-[6-(4-propan-2-ylimidazol-1-yl)pyridazin-3-yl]imidazole-4-carbonitrile

1-[6-(4-propan-2-ylimidazol-1-yl)pyridazin-3-yl]imidazole-4-carbonitrile (PubChem CID 162723311) has the molecular formula C14H13N7 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-[6-(4-propan-2-ylimidazol-1-yl)pyridazin-3-yl]imidazole-4-carbonitrile.

Molecular Properties

Compound Name1-[6-(4-propan-2-ylimidazol-1-yl)pyridazin-3-yl]imidazole-4-carbonitrile
PubChem CID162723311
Molecular FormulaC14H13N7
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name1-[6-(4-propan-2-ylimidazol-1-yl)pyridazin-3-yl]imidazole-4-carbonitrile
SMILESCC(C)c1cn(-c2ccc(-n3cnc(C#N)c3)nn2)cn1
InChIInChI=1S/C14H13N7/c1-10(2)12-7-21(9-17-12)14-4-3-13(18-19-14)20-6-11(5-15)16-8-20/h3-4,6-10H,1-2H3
InChIKeyRRGWWDPAOWZERG-UHFFFAOYSA-N
XLogP1.84
TPSA85.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-propan-2-ylimidazol-1-yl)pyridazin-3-yl]imidazole-4-carbonitrile?
The IUPAC name of 1-[6-(4-propan-2-ylimidazol-1-yl)pyridazin-3-yl]imidazole-4-carbonitrile (CID 162723311) is 1-[6-(4-propan-2-ylimidazol-1-yl)pyridazin-3-yl]imidazole-4-carbonitrile.
What is the SMILES notation for 1-[6-(4-propan-2-ylimidazol-1-yl)pyridazin-3-yl]imidazole-4-carbonitrile?
The canonical SMILES for 1-[6-(4-propan-2-ylimidazol-1-yl)pyridazin-3-yl]imidazole-4-carbonitrile is CC(C)c1cn(-c2ccc(-n3cnc(C#N)c3)nn2)cn1.
What is the InChIKey of 1-[6-(4-propan-2-ylimidazol-1-yl)pyridazin-3-yl]imidazole-4-carbonitrile?
The InChIKey is RRGWWDPAOWZERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7/c1-10(2)12-7-21(9-17-12)14-4-3-13(18-19-14)20-6-11(5-15)16-8-20/h3-4,6-10H,1-2H3.
What are the key properties of 1-[6-(4-propan-2-ylimidazol-1-yl)pyridazin-3-yl]imidazole-4-carbonitrile?
1-[6-(4-propan-2-ylimidazol-1-yl)pyridazin-3-yl]imidazole-4-carbonitrile has a molecular weight of 279.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-propan-2-ylimidazol-1-yl)pyridazin-3-yl]imidazole-4-carbonitrile is sourced from PubChem (CID 162723311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).