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

C15H15N5O — CID 10401467

IUPACN-cyclopropyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1ccc(-c2nnc3ccc(NC4CC4)nn23)cc1
InChIInChI=1S/C15H15N5O/c1-21-12-6-2-10(3-7-12)15-18-17-14-9-8-13(19-20(14)15)16-11-4-5-11/h2-3,6-9,11H,4-5H2,1H3,(H,16,19)
InChIKeyINYTUQQBTZLTFF-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.37
Rot. Bonds4

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

N-cyclopropyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 10401467) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-cyclopropyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID10401467
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-cyclopropyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1ccc(-c2nnc3ccc(NC4CC4)nn23)cc1
InChIInChI=1S/C15H15N5O/c1-21-12-6-2-10(3-7-12)15-18-17-14-9-8-13(19-20(14)15)16-11-4-5-11/h2-3,6-9,11H,4-5H2,1H3,(H,16,19)
InChIKeyINYTUQQBTZLTFF-UHFFFAOYSA-N
XLogP2.37
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-cyclopropyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 10401467) is N-cyclopropyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-cyclopropyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-cyclopropyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is COc1ccc(-c2nnc3ccc(NC4CC4)nn23)cc1.
What is the InChIKey of N-cyclopropyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is INYTUQQBTZLTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-21-12-6-2-10(3-7-12)15-18-17-14-9-8-13(19-20(14)15)16-11-4-5-11/h2-3,6-9,11H,4-5H2,1H3,(H,16,19).
What are the key properties of N-cyclopropyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-cyclopropyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 281.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 10401467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).