N-(2-methylpropyl)pyridazin-1-ium-3-amine

C8H14N3+ — CID 140660485

IUPACN-(2-methylpropyl)pyridazin-1-ium-3-amine
SMILESCC(C)CNc1ccc[nH+]n1
InChIInChI=1S/C8H13N3/c1-7(2)6-9-8-4-3-5-10-11-8/h3-5,7H,6H2,1-2H3,(H,9,11)/p+1
InChIKeyKTFDUDXMLAYFGL-UHFFFAOYSA-O
MW152.22 g/mol
LogP0.96
Rot. Bonds3

About N-(2-methylpropyl)pyridazin-1-ium-3-amine

N-(2-methylpropyl)pyridazin-1-ium-3-amine (PubChem CID 140660485) has the molecular formula C8H14N3+ and a molecular weight of 152.22 g/mol. Its IUPAC name is N-(2-methylpropyl)pyridazin-1-ium-3-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)pyridazin-1-ium-3-amine
PubChem CID140660485
Molecular FormulaC8H14N3+
Molecular Weight152.22 g/mol
Exact Mass152.12
IUPAC NameN-(2-methylpropyl)pyridazin-1-ium-3-amine
SMILESCC(C)CNc1ccc[nH+]n1
InChIInChI=1S/C8H13N3/c1-7(2)6-9-8-4-3-5-10-11-8/h3-5,7H,6H2,1-2H3,(H,9,11)/p+1
InChIKeyKTFDUDXMLAYFGL-UHFFFAOYSA-O
XLogP0.96
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-(2-methylpropyl)pyridin-2-amine
CID 53410300
N-(2-methylpropyl)-1,2-oxazol-3-amine
CID 59531410
1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine
CID 86210277
4-(2-methylpropylamino)pyrimidin-2-olate
CID 171083586
5-methyl-N-(2-methylpropyl)-1,2-oxazol-3-amine
CID 59569080
5-N,5-N-dimethyl-2-N-(2-methylpropyl)pyridine-2,5-diamine
CID 115876832
2-(2-methylpropylamino)pyridine-4-carbonitrile
CID 24707878
5-(2-methylbutan-2-yl)-N-(2-methylpropyl)pyridin-2-amine
CID 163630716
2,6-difluoro-N-(2-methylpropyl)aniline
CID 28974507
N-[6-(2-methylpropylamino)pyridazin-3-yl]benzamide
CID 113038445
(2R)-1-N-pyridin-2-ylpropane-1,2-diamine
CID 71346823
4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770441

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)pyridazin-1-ium-3-amine?
The IUPAC name of N-(2-methylpropyl)pyridazin-1-ium-3-amine (CID 140660485) is N-(2-methylpropyl)pyridazin-1-ium-3-amine.
What is the SMILES notation for N-(2-methylpropyl)pyridazin-1-ium-3-amine?
The canonical SMILES for N-(2-methylpropyl)pyridazin-1-ium-3-amine is CC(C)CNc1ccc[nH+]n1.
What is the InChIKey of N-(2-methylpropyl)pyridazin-1-ium-3-amine?
The InChIKey is KTFDUDXMLAYFGL-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H13N3/c1-7(2)6-9-8-4-3-5-10-11-8/h3-5,7H,6H2,1-2H3,(H,9,11)/p+1.
What are the key properties of N-(2-methylpropyl)pyridazin-1-ium-3-amine?
N-(2-methylpropyl)pyridazin-1-ium-3-amine has a molecular weight of 152.22 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)pyridazin-1-ium-3-amine is sourced from PubChem (CID 140660485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).