7-methoxy-N-methyl-2-[(3-pyrazin-2-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C19H20N8O — CID 170276256

IUPAC7-methoxy-N-methyl-2-[(3-pyrazin-2-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCNc1nc2c(OC)cccc2c2nc(CN3CC(c4cnccn4)C3)nn12
InChIInChI=1S/C19H20N8O/c1-20-19-24-17-13(4-3-5-15(17)28-2)18-23-16(25-27(18)19)11-26-9-12(10-26)14-8-21-6-7-22-14/h3-8,12H,9-11H2,1-2H3,(H,20,24)
InChIKeyKIBGDZRSMUMVGY-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.72
Rot. Bonds5

About 7-methoxy-N-methyl-2-[(3-pyrazin-2-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

7-methoxy-N-methyl-2-[(3-pyrazin-2-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 170276256) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is 7-methoxy-N-methyl-2-[(3-pyrazin-2-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name7-methoxy-N-methyl-2-[(3-pyrazin-2-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID170276256
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name7-methoxy-N-methyl-2-[(3-pyrazin-2-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCNc1nc2c(OC)cccc2c2nc(CN3CC(c4cnccn4)C3)nn12
InChIInChI=1S/C19H20N8O/c1-20-19-24-17-13(4-3-5-15(17)28-2)18-23-16(25-27(18)19)11-26-9-12(10-26)14-8-21-6-7-22-14/h3-8,12H,9-11H2,1-2H3,(H,20,24)
InChIKeyKIBGDZRSMUMVGY-UHFFFAOYSA-N
XLogP1.72
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-methyl-2-[(3-pyrazin-2-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 7-methoxy-N-methyl-2-[(3-pyrazin-2-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 170276256) is 7-methoxy-N-methyl-2-[(3-pyrazin-2-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 7-methoxy-N-methyl-2-[(3-pyrazin-2-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 7-methoxy-N-methyl-2-[(3-pyrazin-2-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is CNc1nc2c(OC)cccc2c2nc(CN3CC(c4cnccn4)C3)nn12.
What is the InChIKey of 7-methoxy-N-methyl-2-[(3-pyrazin-2-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is KIBGDZRSMUMVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c1-20-19-24-17-13(4-3-5-15(17)28-2)18-23-16(25-27(18)19)11-26-9-12(10-26)14-8-21-6-7-22-14/h3-8,12H,9-11H2,1-2H3,(H,20,24).
What are the key properties of 7-methoxy-N-methyl-2-[(3-pyrazin-2-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
7-methoxy-N-methyl-2-[(3-pyrazin-2-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 376.42 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-methyl-2-[(3-pyrazin-2-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 170276256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).