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

C24H29N5O3 — CID 3087238

IUPACN,N-bis(2-methoxyethyl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCOCCN(CCOC)c1nn2c(-c3ccc(OC(C)C)cc3)nnc2c2ccccc12
InChIInChI=1S/C24H29N5O3/c1-17(2)32-19-11-9-18(10-12-19)22-25-26-23-20-7-5-6-8-21(20)24(27-29(22)23)28(13-15-30-3)14-16-31-4/h5-12,17H,13-16H2,1-4H3
InChIKeySRMUDIQBHIZHCP-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.83
Rot. Bonds10

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

N,N-bis(2-methoxyethyl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (PubChem CID 3087238) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
PubChem CID3087238
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN,N-bis(2-methoxyethyl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCOCCN(CCOC)c1nn2c(-c3ccc(OC(C)C)cc3)nnc2c2ccccc12
InChIInChI=1S/C24H29N5O3/c1-17(2)32-19-11-9-18(10-12-19)22-25-26-23-20-7-5-6-8-21(20)24(27-29(22)23)28(13-15-30-3)14-16-31-4/h5-12,17H,13-16H2,1-4H3
InChIKeySRMUDIQBHIZHCP-UHFFFAOYSA-N
XLogP3.83
TPSA74.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The IUPAC name of N,N-bis(2-methoxyethyl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (CID 3087238) is N,N-bis(2-methoxyethyl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The canonical SMILES for N,N-bis(2-methoxyethyl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is COCCN(CCOC)c1nn2c(-c3ccc(OC(C)C)cc3)nnc2c2ccccc12.
What is the InChIKey of N,N-bis(2-methoxyethyl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The InChIKey is SRMUDIQBHIZHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-17(2)32-19-11-9-18(10-12-19)22-25-26-23-20-7-5-6-8-21(20)24(27-29(22)23)28(13-15-30-3)14-16-31-4/h5-12,17H,13-16H2,1-4H3.
What are the key properties of N,N-bis(2-methoxyethyl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
N,N-bis(2-methoxyethyl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine has a molecular weight of 435.53 g/mol, XLogP of 3.83, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is sourced from PubChem (CID 3087238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).