3-N-(3,3-dimethylcyclopentyl)pyridazine-3,6-diamine

C11H18N4 — CID 114541692

IUPAC3-N-(3,3-dimethylcyclopentyl)pyridazine-3,6-diamine
SMILESCC1(C)CCC(Nc2ccc(N)nn2)C1
InChIInChI=1S/C11H18N4/c1-11(2)6-5-8(7-11)13-10-4-3-9(12)14-15-10/h3-4,8H,5-7H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyQDTALSMFHYDZMQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.05
Rot. Bonds2

About 3-N-(3,3-dimethylcyclopentyl)pyridazine-3,6-diamine

3-N-(3,3-dimethylcyclopentyl)pyridazine-3,6-diamine (PubChem CID 114541692) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-N-(3,3-dimethylcyclopentyl)pyridazine-3,6-diamine.

Molecular Properties

Compound Name3-N-(3,3-dimethylcyclopentyl)pyridazine-3,6-diamine
PubChem CID114541692
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name3-N-(3,3-dimethylcyclopentyl)pyridazine-3,6-diamine
SMILESCC1(C)CCC(Nc2ccc(N)nn2)C1
InChIInChI=1S/C11H18N4/c1-11(2)6-5-8(7-11)13-10-4-3-9(12)14-15-10/h3-4,8H,5-7H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyQDTALSMFHYDZMQ-UHFFFAOYSA-N
XLogP2.05
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3,3-dimethylcyclopentyl)pyridazine-3,6-diamine?
The IUPAC name of 3-N-(3,3-dimethylcyclopentyl)pyridazine-3,6-diamine (CID 114541692) is 3-N-(3,3-dimethylcyclopentyl)pyridazine-3,6-diamine.
What is the SMILES notation for 3-N-(3,3-dimethylcyclopentyl)pyridazine-3,6-diamine?
The canonical SMILES for 3-N-(3,3-dimethylcyclopentyl)pyridazine-3,6-diamine is CC1(C)CCC(Nc2ccc(N)nn2)C1.
What is the InChIKey of 3-N-(3,3-dimethylcyclopentyl)pyridazine-3,6-diamine?
The InChIKey is QDTALSMFHYDZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-11(2)6-5-8(7-11)13-10-4-3-9(12)14-15-10/h3-4,8H,5-7H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of 3-N-(3,3-dimethylcyclopentyl)pyridazine-3,6-diamine?
3-N-(3,3-dimethylcyclopentyl)pyridazine-3,6-diamine has a molecular weight of 206.29 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,3-dimethylcyclopentyl)pyridazine-3,6-diamine is sourced from PubChem (CID 114541692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).