1-(6-methylpyridazin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine

C13H17N5 — CID 107384433

IUPAC1-(6-methylpyridazin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
SMILESCc1ccc(-n2ncc3c2CCCCC3N)nn1
InChIInChI=1S/C13H17N5/c1-9-6-7-13(17-16-9)18-12-5-3-2-4-11(14)10(12)8-15-18/h6-8,11H,2-5,14H2,1H3
InChIKeyUVBXMMKTUJKJCH-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.70
Rot. Bonds1

About 1-(6-methylpyridazin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine

1-(6-methylpyridazin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine (PubChem CID 107384433) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
PubChem CID107384433
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name1-(6-methylpyridazin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
SMILESCc1ccc(-n2ncc3c2CCCCC3N)nn1
InChIInChI=1S/C13H17N5/c1-9-6-7-13(17-16-9)18-12-5-3-2-4-11(14)10(12)8-15-18/h6-8,11H,2-5,14H2,1H3
InChIKeyUVBXMMKTUJKJCH-UHFFFAOYSA-N
XLogP1.70
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridazin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The IUPAC name of 1-(6-methylpyridazin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine (CID 107384433) is 1-(6-methylpyridazin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine is Cc1ccc(-n2ncc3c2CCCCC3N)nn1.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The InChIKey is UVBXMMKTUJKJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-9-6-7-13(17-16-9)18-12-5-3-2-4-11(14)10(12)8-15-18/h6-8,11H,2-5,14H2,1H3.
What are the key properties of 1-(6-methylpyridazin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
1-(6-methylpyridazin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine has a molecular weight of 243.31 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine is sourced from PubChem (CID 107384433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).