5-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine

C18H17N5O2 — CID 67043239

IUPAC5-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine
SMILESCOc1ccc(Cc2nc3ccccc3c3nc(N)nn23)cc1OC
InChIInChI=1S/C18H17N5O2/c1-24-14-8-7-11(9-15(14)25-2)10-16-20-13-6-4-3-5-12(13)17-21-18(19)22-23(16)17/h3-9H,10H2,1-2H3,(H2,19,22)
InChIKeyKMFADYOPVNABSZ-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.47
Rot. Bonds4

About 5-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine

5-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine (PubChem CID 67043239) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 5-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine.

Molecular Properties

Compound Name5-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine
PubChem CID67043239
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name5-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine
SMILESCOc1ccc(Cc2nc3ccccc3c3nc(N)nn23)cc1OC
InChIInChI=1S/C18H17N5O2/c1-24-14-8-7-11(9-15(14)25-2)10-16-20-13-6-4-3-5-12(13)17-21-18(19)22-23(16)17/h3-9H,10H2,1-2H3,(H2,19,22)
InChIKeyKMFADYOPVNABSZ-UHFFFAOYSA-N
XLogP2.47
TPSA87.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine?
The IUPAC name of 5-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine (CID 67043239) is 5-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine.
What is the SMILES notation for 5-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine?
The canonical SMILES for 5-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine is COc1ccc(Cc2nc3ccccc3c3nc(N)nn23)cc1OC.
What is the InChIKey of 5-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine?
The InChIKey is KMFADYOPVNABSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-24-14-8-7-11(9-15(14)25-2)10-16-20-13-6-4-3-5-12(13)17-21-18(19)22-23(16)17/h3-9H,10H2,1-2H3,(H2,19,22).
What are the key properties of 5-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine?
5-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine has a molecular weight of 335.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine is sourced from PubChem (CID 67043239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).