(6R)-6-[(4-phenyltriazol-1-yl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine

C14H14N6O — CID 139093509

IUPAC(6R)-6-[(4-phenyltriazol-1-yl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESc1ccc(-c2cn(C[C@@H]3Cn4nncc4CO3)nn2)cc1
InChIInChI=1S/C14H14N6O/c1-2-4-11(5-3-1)14-9-19(18-16-14)7-13-8-20-12(10-21-13)6-15-17-20/h1-6,9,13H,7-8,10H2/t13-/m1/s1
InChIKeyGGSWGIAYMSWTTF-CYBMUJFWSA-N
MW282.31 g/mol
LogP1.14
Rot. Bonds3

About (6R)-6-[(4-phenyltriazol-1-yl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine

(6R)-6-[(4-phenyltriazol-1-yl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (PubChem CID 139093509) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is (6R)-6-[(4-phenyltriazol-1-yl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name(6R)-6-[(4-phenyltriazol-1-yl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
PubChem CID139093509
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name(6R)-6-[(4-phenyltriazol-1-yl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESc1ccc(-c2cn(C[C@@H]3Cn4nncc4CO3)nn2)cc1
InChIInChI=1S/C14H14N6O/c1-2-4-11(5-3-1)14-9-19(18-16-14)7-13-8-20-12(10-21-13)6-15-17-20/h1-6,9,13H,7-8,10H2/t13-/m1/s1
InChIKeyGGSWGIAYMSWTTF-CYBMUJFWSA-N
XLogP1.14
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(4-phenyltriazol-1-yl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The IUPAC name of (6R)-6-[(4-phenyltriazol-1-yl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (CID 139093509) is (6R)-6-[(4-phenyltriazol-1-yl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for (6R)-6-[(4-phenyltriazol-1-yl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The canonical SMILES for (6R)-6-[(4-phenyltriazol-1-yl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is c1ccc(-c2cn(C[C@@H]3Cn4nncc4CO3)nn2)cc1.
What is the InChIKey of (6R)-6-[(4-phenyltriazol-1-yl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The InChIKey is GGSWGIAYMSWTTF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14N6O/c1-2-4-11(5-3-1)14-9-19(18-16-14)7-13-8-20-12(10-21-13)6-15-17-20/h1-6,9,13H,7-8,10H2/t13-/m1/s1.
What are the key properties of (6R)-6-[(4-phenyltriazol-1-yl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
(6R)-6-[(4-phenyltriazol-1-yl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine has a molecular weight of 282.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(4-phenyltriazol-1-yl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 139093509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).