2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C14H15N5O — CID 169150760

IUPAC2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(C3CCC3)nc21
InChIInChI=1S/C14H15N5O/c1-20-10-7-3-6-9-11(10)16-14(15)19-13(9)17-12(18-19)8-4-2-5-8/h3,6-8H,2,4-5H2,1H3,(H2,15,16)
InChIKeyCXMYKGULBORQIZ-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.14
Rot. Bonds2

About 2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 169150760) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID169150760
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(C3CCC3)nc21
InChIInChI=1S/C14H15N5O/c1-20-10-7-3-6-9-11(10)16-14(15)19-13(9)17-12(18-19)8-4-2-5-8/h3,6-8H,2,4-5H2,1H3,(H2,15,16)
InChIKeyCXMYKGULBORQIZ-UHFFFAOYSA-N
XLogP2.14
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 169150760) is 2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(C3CCC3)nc21.
What is the InChIKey of 2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is CXMYKGULBORQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-20-10-7-3-6-9-11(10)16-14(15)19-13(9)17-12(18-19)8-4-2-5-8/h3,6-8H,2,4-5H2,1H3,(H2,15,16).
What are the key properties of 2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 269.31 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 169150760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).