3-[(1-amino-4-methylpentan-2-yl)amino]pyridazine-4-carbonitrile

C11H17N5 — CID 80515024

IUPAC3-[(1-amino-4-methylpentan-2-yl)amino]pyridazine-4-carbonitrile
SMILESCC(C)CC(CN)Nc1nnccc1C#N
InChIInChI=1S/C11H17N5/c1-8(2)5-10(7-13)15-11-9(6-12)3-4-14-16-11/h3-4,8,10H,5,7,13H2,1-2H3,(H,15,16)
InChIKeySJOQWODWBFTAGR-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.13
Rot. Bonds5

About 3-[(1-amino-4-methylpentan-2-yl)amino]pyridazine-4-carbonitrile

3-[(1-amino-4-methylpentan-2-yl)amino]pyridazine-4-carbonitrile (PubChem CID 80515024) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-[(1-amino-4-methylpentan-2-yl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(1-amino-4-methylpentan-2-yl)amino]pyridazine-4-carbonitrile
PubChem CID80515024
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name3-[(1-amino-4-methylpentan-2-yl)amino]pyridazine-4-carbonitrile
SMILESCC(C)CC(CN)Nc1nnccc1C#N
InChIInChI=1S/C11H17N5/c1-8(2)5-10(7-13)15-11-9(6-12)3-4-14-16-11/h3-4,8,10H,5,7,13H2,1-2H3,(H,15,16)
InChIKeySJOQWODWBFTAGR-UHFFFAOYSA-N
XLogP1.13
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-4-methylpentan-2-yl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[(1-amino-4-methylpentan-2-yl)amino]pyridazine-4-carbonitrile (CID 80515024) is 3-[(1-amino-4-methylpentan-2-yl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(1-amino-4-methylpentan-2-yl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[(1-amino-4-methylpentan-2-yl)amino]pyridazine-4-carbonitrile is CC(C)CC(CN)Nc1nnccc1C#N.
What is the InChIKey of 3-[(1-amino-4-methylpentan-2-yl)amino]pyridazine-4-carbonitrile?
The InChIKey is SJOQWODWBFTAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-8(2)5-10(7-13)15-11-9(6-12)3-4-14-16-11/h3-4,8,10H,5,7,13H2,1-2H3,(H,15,16).
What are the key properties of 3-[(1-amino-4-methylpentan-2-yl)amino]pyridazine-4-carbonitrile?
3-[(1-amino-4-methylpentan-2-yl)amino]pyridazine-4-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-4-methylpentan-2-yl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80515024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).