2-[(2R)-5,5-difluoropiperidin-2-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C15H16F2N6O — CID 155926720

IUPAC2-[(2R)-5,5-difluoropiperidin-2-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc([C@H]3CCC(F)(F)CN3)nc21
InChIInChI=1S/C15H16F2N6O/c1-24-10-4-2-3-8-11(10)20-14(18)23-13(8)21-12(22-23)9-5-6-15(16,17)7-19-9/h2-4,9,19H,5-7H2,1H3,(H2,18,20)/t9-/m1/s1
InChIKeyOIUASLQNZUATSP-SECBINFHSA-N
MW334.33 g/mol
LogP1.93
Rot. Bonds2

About 2-[(2R)-5,5-difluoropiperidin-2-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-[(2R)-5,5-difluoropiperidin-2-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 155926720) has the molecular formula C15H16F2N6O and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-[(2R)-5,5-difluoropiperidin-2-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-[(2R)-5,5-difluoropiperidin-2-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID155926720
Molecular FormulaC15H16F2N6O
Molecular Weight334.33 g/mol
Exact Mass334.14
IUPAC Name2-[(2R)-5,5-difluoropiperidin-2-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc([C@H]3CCC(F)(F)CN3)nc21
InChIInChI=1S/C15H16F2N6O/c1-24-10-4-2-3-8-11(10)20-14(18)23-13(8)21-12(22-23)9-5-6-15(16,17)7-19-9/h2-4,9,19H,5-7H2,1H3,(H2,18,20)/t9-/m1/s1
InChIKeyOIUASLQNZUATSP-SECBINFHSA-N
XLogP1.93
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-5,5-difluoropiperidin-2-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-[(2R)-5,5-difluoropiperidin-2-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 155926720) is 2-[(2R)-5,5-difluoropiperidin-2-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-[(2R)-5,5-difluoropiperidin-2-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-[(2R)-5,5-difluoropiperidin-2-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc([C@H]3CCC(F)(F)CN3)nc21.
What is the InChIKey of 2-[(2R)-5,5-difluoropiperidin-2-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is OIUASLQNZUATSP-SECBINFHSA-N. The full InChI is InChI=1S/C15H16F2N6O/c1-24-10-4-2-3-8-11(10)20-14(18)23-13(8)21-12(22-23)9-5-6-15(16,17)7-19-9/h2-4,9,19H,5-7H2,1H3,(H2,18,20)/t9-/m1/s1.
What are the key properties of 2-[(2R)-5,5-difluoropiperidin-2-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-[(2R)-5,5-difluoropiperidin-2-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 334.33 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-5,5-difluoropiperidin-2-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 155926720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).