N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C9H13N5 — CID 53017569

IUPACN-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)CNc1ccc2nncn2n1
InChIInChI=1S/C9H13N5/c1-7(2)5-10-8-3-4-9-12-11-6-14(9)13-8/h3-4,6-7H,5H2,1-2H3,(H,10,13)
InChIKeyKXFJNPVFWOMQHI-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.19
Rot. Bonds3

About N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 53017569) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID53017569
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC NameN-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)CNc1ccc2nncn2n1
InChIInChI=1S/C9H13N5/c1-7(2)5-10-8-3-4-9-12-11-6-14(9)13-8/h3-4,6-7H,5H2,1-2H3,(H,10,13)
InChIKeyKXFJNPVFWOMQHI-UHFFFAOYSA-N
XLogP1.19
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 53017569) is N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC(C)CNc1ccc2nncn2n1.
What is the InChIKey of N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is KXFJNPVFWOMQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-7(2)5-10-8-3-4-9-12-11-6-14(9)13-8/h3-4,6-7H,5H2,1-2H3,(H,10,13).
What are the key properties of N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 191.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 53017569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).