1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-ol

C13H15N5O2 — CID 162684779

IUPAC1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-ol
SMILESCOc1cccc2c1nc(N)n1nc(CC(C)O)nc21
InChIInChI=1S/C13H15N5O2/c1-7(19)6-10-15-12-8-4-3-5-9(20-2)11(8)16-13(14)18(12)17-10/h3-5,7,19H,6H2,1-2H3,(H2,14,16)
InChIKeyYEUIHUHXHGBBSL-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.79
Rot. Bonds3

About 1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-ol

1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-ol (PubChem CID 162684779) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-ol
PubChem CID162684779
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-ol
SMILESCOc1cccc2c1nc(N)n1nc(CC(C)O)nc21
InChIInChI=1S/C13H15N5O2/c1-7(19)6-10-15-12-8-4-3-5-9(20-2)11(8)16-13(14)18(12)17-10/h3-5,7,19H,6H2,1-2H3,(H2,14,16)
InChIKeyYEUIHUHXHGBBSL-UHFFFAOYSA-N
XLogP0.79
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-ol with MolForge

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Related Compounds

1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-yloxy thiohypoiodite
CID 144662413
(2R)-2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-1-ol
CID 162684795
ethyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate
CID 90257651
7-methoxy-2-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90257931
2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethanol;2-(2-chloroethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;thionyl dichloride
CID 160556367
2-[(4-fluorophenyl)methoxymethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 162684766
7-methoxy-2-[(2R)-2-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90258494
2-[(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methylamino]-1-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 170164407
(1S)-1-[2-[2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopropyl]phenyl]ethanol
CID 169150889
2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169150760
7-methoxy-2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 121454478
2-[4-[(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methoxymethyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 162684898

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-ol?
The IUPAC name of 1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-ol (CID 162684779) is 1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-ol?
The canonical SMILES for 1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-ol is COc1cccc2c1nc(N)n1nc(CC(C)O)nc21.
What is the InChIKey of 1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-ol?
The InChIKey is YEUIHUHXHGBBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-7(19)6-10-15-12-8-4-3-5-9(20-2)11(8)16-13(14)18(12)17-10/h3-5,7,19H,6H2,1-2H3,(H2,14,16).
What are the key properties of 1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-ol?
1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-ol has a molecular weight of 273.30 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-ol is sourced from PubChem (CID 162684779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).