6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine;2-methylpropane

C9H17N3O — CID 178045223

IUPAC6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine;2-methylpropane
SMILESCC(C)C.c1nc2n(n1)CCCO2
InChIInChI=1S/C5H7N3O.C4H10/c1-2-8-5(9-3-1)6-4-7-8;1-4(2)3/h4H,1-3H2;4H,1-3H3
InChIKeyFQEDJCCKHPECOB-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.72
Rot. Bonds

About 6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine;2-methylpropane

6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine;2-methylpropane (PubChem CID 178045223) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine;2-methylpropane.

Molecular Properties

Compound Name6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine;2-methylpropane
PubChem CID178045223
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine;2-methylpropane
SMILESCC(C)C.c1nc2n(n1)CCCO2
InChIInChI=1S/C5H7N3O.C4H10/c1-2-8-5(9-3-1)6-4-7-8;1-4(2)3/h4H,1-3H2;4H,1-3H3
InChIKeyFQEDJCCKHPECOB-UHFFFAOYSA-N
XLogP1.72
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine;2-methylpropane?
The IUPAC name of 6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine;2-methylpropane (CID 178045223) is 6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine;2-methylpropane.
What is the SMILES notation for 6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine;2-methylpropane?
The canonical SMILES for 6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine;2-methylpropane is CC(C)C.c1nc2n(n1)CCCO2.
What is the InChIKey of 6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine;2-methylpropane?
The InChIKey is FQEDJCCKHPECOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.C4H10/c1-2-8-5(9-3-1)6-4-7-8;1-4(2)3/h4H,1-3H2;4H,1-3H3.
What are the key properties of 6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine;2-methylpropane?
6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine;2-methylpropane has a molecular weight of 183.25 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine;2-methylpropane is sourced from PubChem (CID 178045223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).