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

C22H25N5O2 — CID 3071217

IUPACN,N-bis(2-methoxyethyl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCOCCN(CCOC)c1nn2c(-c3ccc(C)cc3)nnc2c2ccccc12
InChIInChI=1S/C22H25N5O2/c1-16-8-10-17(11-9-16)20-23-24-21-18-6-4-5-7-19(18)22(25-27(20)21)26(12-14-28-2)13-15-29-3/h4-11H,12-15H2,1-3H3
InChIKeyGPJYEGSGDXGTSA-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.35
Rot. Bonds8

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

N,N-bis(2-methoxyethyl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (PubChem CID 3071217) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
PubChem CID3071217
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN,N-bis(2-methoxyethyl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCOCCN(CCOC)c1nn2c(-c3ccc(C)cc3)nnc2c2ccccc12
InChIInChI=1S/C22H25N5O2/c1-16-8-10-17(11-9-16)20-23-24-21-18-6-4-5-7-19(18)22(25-27(20)21)26(12-14-28-2)13-15-29-3/h4-11H,12-15H2,1-3H3
InChIKeyGPJYEGSGDXGTSA-UHFFFAOYSA-N
XLogP3.35
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The IUPAC name of N,N-bis(2-methoxyethyl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (CID 3071217) is N,N-bis(2-methoxyethyl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The canonical SMILES for N,N-bis(2-methoxyethyl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is COCCN(CCOC)c1nn2c(-c3ccc(C)cc3)nnc2c2ccccc12.
What is the InChIKey of N,N-bis(2-methoxyethyl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The InChIKey is GPJYEGSGDXGTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-8-10-17(11-9-16)20-23-24-21-18-6-4-5-7-19(18)22(25-27(20)21)26(12-14-28-2)13-15-29-3/h4-11H,12-15H2,1-3H3.
What are the key properties of N,N-bis(2-methoxyethyl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
N,N-bis(2-methoxyethyl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine has a molecular weight of 391.48 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is sourced from PubChem (CID 3071217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).