1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]cyclobutan-1-ol;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C22H26N6O3 — CID 169150954

IUPAC1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]cyclobutan-1-ol;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCC(C)(O)c1ccc(C2(O)CCC2)nc1.COc1cccc2c1nc(N)n1ncnc21
InChIInChI=1S/C12H17NO2.C10H9N5O/c1-11(2,14)9-4-5-10(13-8-9)12(15)6-3-7-12;1-16-7-4-2-3-6-8(7)14-10(11)15-9(6)12-5-13-15/h4-5,8,14-15H,3,6-7H2,1-2H3;2-5H,1H3,(H2,11,14)
InChIKeyVHXBOYNKZHWEAU-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.55
Rot. Bonds3

About 1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]cyclobutan-1-ol;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]cyclobutan-1-ol;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 169150954) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]cyclobutan-1-ol;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]cyclobutan-1-ol;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID169150954
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]cyclobutan-1-ol;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCC(C)(O)c1ccc(C2(O)CCC2)nc1.COc1cccc2c1nc(N)n1ncnc21
InChIInChI=1S/C12H17NO2.C10H9N5O/c1-11(2,14)9-4-5-10(13-8-9)12(15)6-3-7-12;1-16-7-4-2-3-6-8(7)14-10(11)15-9(6)12-5-13-15/h4-5,8,14-15H,3,6-7H2,1-2H3;2-5H,1H3,(H2,11,14)
InChIKeyVHXBOYNKZHWEAU-UHFFFAOYSA-N
XLogP2.55
TPSA131.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]cyclobutan-1-ol;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]cyclobutan-1-ol;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 169150954) is 1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]cyclobutan-1-ol;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]cyclobutan-1-ol;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]cyclobutan-1-ol;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is CC(C)(O)c1ccc(C2(O)CCC2)nc1.COc1cccc2c1nc(N)n1ncnc21.
What is the InChIKey of 1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]cyclobutan-1-ol;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is VHXBOYNKZHWEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.C10H9N5O/c1-11(2,14)9-4-5-10(13-8-9)12(15)6-3-7-12;1-16-7-4-2-3-6-8(7)14-10(11)15-9(6)12-5-13-15/h4-5,8,14-15H,3,6-7H2,1-2H3;2-5H,1H3,(H2,11,14).
What are the key properties of 1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]cyclobutan-1-ol;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]cyclobutan-1-ol;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 422.49 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]cyclobutan-1-ol;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 169150954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).