6-methyl-1-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine

C15H21N5O — CID 75504482

IUPAC6-methyl-1-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine
SMILESCc1ccc2c(n1)OCCN2Cc1nnc(C(C)C)n1C
InChIInChI=1S/C15H21N5O/c1-10(2)14-18-17-13(19(14)4)9-20-7-8-21-15-12(20)6-5-11(3)16-15/h5-6,10H,7-9H2,1-4H3
InChIKeyZGJFMYHVSNAKLP-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.04
Rot. Bonds3

About 6-methyl-1-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine

6-methyl-1-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine (PubChem CID 75504482) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-methyl-1-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine.

Molecular Properties

Compound Name6-methyl-1-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine
PubChem CID75504482
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-methyl-1-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine
SMILESCc1ccc2c(n1)OCCN2Cc1nnc(C(C)C)n1C
InChIInChI=1S/C15H21N5O/c1-10(2)14-18-17-13(19(14)4)9-20-7-8-21-15-12(20)6-5-11(3)16-15/h5-6,10H,7-9H2,1-4H3
InChIKeyZGJFMYHVSNAKLP-UHFFFAOYSA-N
XLogP2.04
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine?
The IUPAC name of 6-methyl-1-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine (CID 75504482) is 6-methyl-1-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine.
What is the SMILES notation for 6-methyl-1-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine?
The canonical SMILES for 6-methyl-1-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine is Cc1ccc2c(n1)OCCN2Cc1nnc(C(C)C)n1C.
What is the InChIKey of 6-methyl-1-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine?
The InChIKey is ZGJFMYHVSNAKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(2)14-18-17-13(19(14)4)9-20-7-8-21-15-12(20)6-5-11(3)16-15/h5-6,10H,7-9H2,1-4H3.
What are the key properties of 6-methyl-1-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine?
6-methyl-1-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine has a molecular weight of 287.37 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine is sourced from PubChem (CID 75504482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).