N-(3,5-dimethylcyclohepta-1,4,6-trien-1-yl)pyridazin-3-amine

C13H15N3 — CID 143866205

IUPACN-(3,5-dimethylcyclohepta-1,4,6-trien-1-yl)pyridazin-3-amine
SMILESCC1=CC(C)C=C(Nc2cccnn2)C=C1
InChIInChI=1S/C13H15N3/c1-10-5-6-12(9-11(2)8-10)15-13-4-3-7-14-16-13/h3-9,11H,1-2H3,(H,15,16)
InChIKeyQSZYJIHALLQZAF-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.92
Rot. Bonds2

About N-(3,5-dimethylcyclohepta-1,4,6-trien-1-yl)pyridazin-3-amine

N-(3,5-dimethylcyclohepta-1,4,6-trien-1-yl)pyridazin-3-amine (PubChem CID 143866205) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohepta-1,4,6-trien-1-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohepta-1,4,6-trien-1-yl)pyridazin-3-amine
PubChem CID143866205
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-(3,5-dimethylcyclohepta-1,4,6-trien-1-yl)pyridazin-3-amine
SMILESCC1=CC(C)C=C(Nc2cccnn2)C=C1
InChIInChI=1S/C13H15N3/c1-10-5-6-12(9-11(2)8-10)15-13-4-3-7-14-16-13/h3-9,11H,1-2H3,(H,15,16)
InChIKeyQSZYJIHALLQZAF-UHFFFAOYSA-N
XLogP2.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohepta-1,4,6-trien-1-yl)pyridazin-3-amine?
The IUPAC name of N-(3,5-dimethylcyclohepta-1,4,6-trien-1-yl)pyridazin-3-amine (CID 143866205) is N-(3,5-dimethylcyclohepta-1,4,6-trien-1-yl)pyridazin-3-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohepta-1,4,6-trien-1-yl)pyridazin-3-amine?
The canonical SMILES for N-(3,5-dimethylcyclohepta-1,4,6-trien-1-yl)pyridazin-3-amine is CC1=CC(C)C=C(Nc2cccnn2)C=C1.
What is the InChIKey of N-(3,5-dimethylcyclohepta-1,4,6-trien-1-yl)pyridazin-3-amine?
The InChIKey is QSZYJIHALLQZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10-5-6-12(9-11(2)8-10)15-13-4-3-7-14-16-13/h3-9,11H,1-2H3,(H,15,16).
What are the key properties of N-(3,5-dimethylcyclohepta-1,4,6-trien-1-yl)pyridazin-3-amine?
N-(3,5-dimethylcyclohepta-1,4,6-trien-1-yl)pyridazin-3-amine has a molecular weight of 213.28 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohepta-1,4,6-trien-1-yl)pyridazin-3-amine is sourced from PubChem (CID 143866205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).