N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-amine

C15H17N5O — CID 138998589

IUPACN-[(2-methoxyphenyl)methyl]-N,2-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-amine
SMILESCOc1ccccc1CN(C)c1ccc2nc(C)nn2n1
InChIInChI=1S/C15H17N5O/c1-11-16-14-8-9-15(18-20(14)17-11)19(2)10-12-6-4-5-7-13(12)21-3/h4-9H,10H2,1-3H3
InChIKeyAKCWZKFKMVMWKG-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.08
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-amine

N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-amine (PubChem CID 138998589) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N,2-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-amine
PubChem CID138998589
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-N,2-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-amine
SMILESCOc1ccccc1CN(C)c1ccc2nc(C)nn2n1
InChIInChI=1S/C15H17N5O/c1-11-16-14-8-9-15(18-20(14)17-11)19(2)10-12-6-4-5-7-13(12)21-3/h4-9H,10H2,1-3H3
InChIKeyAKCWZKFKMVMWKG-UHFFFAOYSA-N
XLogP2.08
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-amine (CID 138998589) is N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-amine is COc1ccccc1CN(C)c1ccc2nc(C)nn2n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-amine?
The InChIKey is AKCWZKFKMVMWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-11-16-14-8-9-15(18-20(14)17-11)19(2)10-12-6-4-5-7-13(12)21-3/h4-9H,10H2,1-3H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-amine?
N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-amine has a molecular weight of 283.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 138998589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).