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

C14H15N5O — CID 171324333

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1ccccc1CN(C)c1ccc2nncn2n1
InChIInChI=1S/C14H15N5O/c1-18(9-11-5-3-4-6-12(11)20-2)14-8-7-13-16-15-10-19(13)17-14/h3-8,10H,9H2,1-2H3
InChIKeyGIYPAZUAAOBTTK-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.77
Rot. Bonds4

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

N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 171324333) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID171324333
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1ccccc1CN(C)c1ccc2nncn2n1
InChIInChI=1S/C14H15N5O/c1-18(9-11-5-3-4-6-12(11)20-2)14-8-7-13-16-15-10-19(13)17-14/h3-8,10H,9H2,1-2H3
InChIKeyGIYPAZUAAOBTTK-UHFFFAOYSA-N
XLogP1.77
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-amine
CID 138998589
N-methoxy-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 130676311
6-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazin-2-amine
CID 54940770
5-(chloromethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418221
4-(aminomethyl)-5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 114925953
4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 78929848
5-(ethylaminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 62294445
N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 171324166
N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171327101
[6-[(2-methoxyphenyl)methyl-methylamino]pyrazin-2-yl]methanol
CID 66466375
6-chloro-N-[(2-methoxyphenyl)methyl]-N,4,5-trimethylpyridazin-3-amine
CID 63271464
3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418333

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 171324333) is N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is COc1ccccc1CN(C)c1ccc2nncn2n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is GIYPAZUAAOBTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-18(9-11-5-3-4-6-12(11)20-2)14-8-7-13-16-15-10-19(13)17-14/h3-8,10H,9H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 269.31 g/mol, XLogP of 1.77, 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-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 171324333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).