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

C14H15N5O — CID 39348451

IUPACN-[(2-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1ccccc1CNc1ccc2nnc(C)n2n1
InChIInChI=1S/C14H15N5O/c1-10-16-17-14-8-7-13(18-19(10)14)15-9-11-5-3-4-6-12(11)20-2/h3-8H,9H2,1-2H3,(H,15,18)
InChIKeyYMFBKXXSQWGIEV-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.05
Rot. Bonds4

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

N-[(2-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 39348451) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID39348451
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1ccccc1CNc1ccc2nnc(C)n2n1
InChIInChI=1S/C14H15N5O/c1-10-16-17-14-8-7-13(18-19(10)14)15-9-11-5-3-4-6-12(11)20-2/h3-8H,9H2,1-2H3,(H,15,18)
InChIKeyYMFBKXXSQWGIEV-UHFFFAOYSA-N
XLogP2.05
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.05
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]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 39348451) is N-[(2-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is COc1ccccc1CNc1ccc2nnc(C)n2n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is YMFBKXXSQWGIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10-16-17-14-8-7-13(18-19(10)14)15-9-11-5-3-4-6-12(11)20-2/h3-8H,9H2,1-2H3,(H,15,18).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(2-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 269.31 g/mol, XLogP of 2.05, 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]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 39348451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).