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

C13H13N5O — CID 29131413

IUPACN-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1ccccc1CNc1ccc2nncn2n1
InChIInChI=1S/C13H13N5O/c1-19-11-5-3-2-4-10(11)8-14-12-6-7-13-16-15-9-18(13)17-12/h2-7,9H,8H2,1H3,(H,14,17)
InChIKeyOMGUJHPLFHMXTK-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.75
Rot. Bonds4

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

N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 29131413) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID29131413
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1ccccc1CNc1ccc2nncn2n1
InChIInChI=1S/C13H13N5O/c1-19-11-5-3-2-4-10(11)8-14-12-6-7-13-16-15-9-18(13)17-12/h2-7,9H,8H2,1H3,(H,14,17)
InChIKeyOMGUJHPLFHMXTK-UHFFFAOYSA-N
XLogP1.75
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 29131413) is N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is COc1ccccc1CNc1ccc2nncn2n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is OMGUJHPLFHMXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-19-11-5-3-2-4-10(11)8-14-12-6-7-13-16-15-9-18(13)17-12/h2-7,9H,8H2,1H3,(H,14,17).
What are the key properties of N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 255.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 29131413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).