2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C24H25N7O — CID 20880393

IUPAC2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc(CNc2nc3ccccc3c3nc(CCc4c(C)n[nH]c4C)nn23)c1
InChIInChI=1S/C24H25N7O/c1-15-19(16(2)29-28-15)11-12-22-27-23-20-9-4-5-10-21(20)26-24(31(23)30-22)25-14-17-7-6-8-18(13-17)32-3/h4-10,13H,11-12,14H2,1-3H3,(H,25,26)(H,28,29)
InChIKeyZIJVACSQPGYOSB-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.02
Rot. Bonds7

About 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 20880393) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID20880393
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc(CNc2nc3ccccc3c3nc(CCc4c(C)n[nH]c4C)nn23)c1
InChIInChI=1S/C24H25N7O/c1-15-19(16(2)29-28-15)11-12-22-27-23-20-9-4-5-10-21(20)26-24(31(23)30-22)25-14-17-7-6-8-18(13-17)32-3/h4-10,13H,11-12,14H2,1-3H3,(H,25,26)(H,28,29)
InChIKeyZIJVACSQPGYOSB-UHFFFAOYSA-N
XLogP4.02
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(3-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 4188780
N-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880342
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880366
4-[2-(3-methoxyphenoxy)ethyl]-3,5-dimethyl-1H-pyrazole;hydrochloride
CID 11948795
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110685562
1-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride
CID 6603193
N-(3-methoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 22423942
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 56573983
3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-1-propylurea
CID 119072067
2-ethylsulfanyl-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
CID 69220007
N-(3-ethoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 22423944
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 20880393) is 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc(CNc2nc3ccccc3c3nc(CCc4c(C)n[nH]c4C)nn23)c1.
What is the InChIKey of 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is ZIJVACSQPGYOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-15-19(16(2)29-28-15)11-12-22-27-23-20-9-4-5-10-21(20)26-24(31(23)30-22)25-14-17-7-6-8-18(13-17)32-3/h4-10,13H,11-12,14H2,1-3H3,(H,25,26)(H,28,29).
What are the key properties of 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 427.51 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 20880393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).