N-(2-methoxyethyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine

C19H19N5O2 — CID 3087237

IUPACN-(2-methoxyethyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCOCCNc1nn2c(-c3ccc(OC)cc3)nnc2c2ccccc12
InChIInChI=1S/C19H19N5O2/c1-25-12-11-20-17-15-5-3-4-6-16(15)19-22-21-18(24(19)23-17)13-7-9-14(26-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyJARZEONFIMMZFJ-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.01
Rot. Bonds6

About N-(2-methoxyethyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine

N-(2-methoxyethyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (PubChem CID 3087237) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
PubChem CID3087237
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-(2-methoxyethyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCOCCNc1nn2c(-c3ccc(OC)cc3)nnc2c2ccccc12
InChIInChI=1S/C19H19N5O2/c1-25-12-11-20-17-15-5-3-4-6-16(15)19-22-21-18(24(19)23-17)13-7-9-14(26-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyJARZEONFIMMZFJ-UHFFFAOYSA-N
XLogP3.01
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (CID 3087237) is N-(2-methoxyethyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is COCCNc1nn2c(-c3ccc(OC)cc3)nnc2c2ccccc12.
What is the InChIKey of N-(2-methoxyethyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The InChIKey is JARZEONFIMMZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-25-12-11-20-17-15-5-3-4-6-16(15)19-22-21-18(24(19)23-17)13-7-9-14(26-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-(2-methoxyethyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
N-(2-methoxyethyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine has a molecular weight of 349.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is sourced from PubChem (CID 3087237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).