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

C21H23N5O2 — CID 3071184

IUPACN,N-bis(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCOCCN(CCOC)c1nn2c(-c3ccccc3)nnc2c2ccccc12
InChIInChI=1S/C21H23N5O2/c1-27-14-12-25(13-15-28-2)21-18-11-7-6-10-17(18)20-23-22-19(26(20)24-21)16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3
InChIKeyRMXHNVJURKDVJK-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.04
Rot. Bonds8

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

N,N-bis(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (PubChem CID 3071184) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
PubChem CID3071184
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN,N-bis(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCOCCN(CCOC)c1nn2c(-c3ccccc3)nnc2c2ccccc12
InChIInChI=1S/C21H23N5O2/c1-27-14-12-25(13-15-28-2)21-18-11-7-6-10-17(18)20-23-22-19(26(20)24-21)16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3
InChIKeyRMXHNVJURKDVJK-UHFFFAOYSA-N
XLogP3.04
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.04
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-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The IUPAC name of N,N-bis(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (CID 3071184) is N,N-bis(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The canonical SMILES for N,N-bis(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is COCCN(CCOC)c1nn2c(-c3ccccc3)nnc2c2ccccc12.
What is the InChIKey of N,N-bis(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The InChIKey is RMXHNVJURKDVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-27-14-12-25(13-15-28-2)21-18-11-7-6-10-17(18)20-23-22-19(26(20)24-21)16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3.
What are the key properties of N,N-bis(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
N,N-bis(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine has a molecular weight of 377.45 g/mol, XLogP of 3.04, 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-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is sourced from PubChem (CID 3071184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).