(5-methyl-1H-1,2,4-triazol-3-yl)-(1,3-oxazinan-3-yl)methanone

C8H12N4O2 — CID 130522636

IUPAC(5-methyl-1H-1,2,4-triazol-3-yl)-(1,3-oxazinan-3-yl)methanone
SMILESCc1nc(C(=O)N2CCCOC2)n[nH]1
InChIInChI=1S/C8H12N4O2/c1-6-9-7(11-10-6)8(13)12-3-2-4-14-5-12/h2-5H2,1H3,(H,9,10,11)
InChIKeyMGHYIIIXLNIDHH-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.07
Rot. Bonds1

About (5-methyl-1H-1,2,4-triazol-3-yl)-(1,3-oxazinan-3-yl)methanone

(5-methyl-1H-1,2,4-triazol-3-yl)-(1,3-oxazinan-3-yl)methanone (PubChem CID 130522636) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is (5-methyl-1H-1,2,4-triazol-3-yl)-(1,3-oxazinan-3-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1H-1,2,4-triazol-3-yl)-(1,3-oxazinan-3-yl)methanone
PubChem CID130522636
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name(5-methyl-1H-1,2,4-triazol-3-yl)-(1,3-oxazinan-3-yl)methanone
SMILESCc1nc(C(=O)N2CCCOC2)n[nH]1
InChIInChI=1S/C8H12N4O2/c1-6-9-7(11-10-6)8(13)12-3-2-4-14-5-12/h2-5H2,1H3,(H,9,10,11)
InChIKeyMGHYIIIXLNIDHH-UHFFFAOYSA-N
XLogP-0.07
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,3-difluoropiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 145336249
(3,3-dimethylazetidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 130825736
(3-methoxypiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 102963897
methyl 1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylate
CID 114009916
5-methyl-N-morpholin-4-yl-1H-1,2,4-triazole-3-carboxamide
CID 83023643
3-methyl-1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)pyrrolidine-3-carboxamide
CID 114082419
1,3-oxazinan-3-yl(pyridin-4-yl)methanone
CID 110739628
(6-bromo-2-pyridinyl)-(1,3-oxazinan-3-yl)methanone
CID 130522554
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[9-(5-methyl-1H-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 167933331
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 102679522
[(3aR,7aS)-5-(5-methyl-1H-1,2,4-triazole-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(4,5-dimethyl-1H-pyrazol-3-yl)methanone
CID 167866455
[2-(aminomethyl)morpholin-4-yl]-(5-propyl-1H-1,2,4-triazol-3-yl)methanone
CID 114398187

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-1,2,4-triazol-3-yl)-(1,3-oxazinan-3-yl)methanone?
The IUPAC name of (5-methyl-1H-1,2,4-triazol-3-yl)-(1,3-oxazinan-3-yl)methanone (CID 130522636) is (5-methyl-1H-1,2,4-triazol-3-yl)-(1,3-oxazinan-3-yl)methanone.
What is the SMILES notation for (5-methyl-1H-1,2,4-triazol-3-yl)-(1,3-oxazinan-3-yl)methanone?
The canonical SMILES for (5-methyl-1H-1,2,4-triazol-3-yl)-(1,3-oxazinan-3-yl)methanone is Cc1nc(C(=O)N2CCCOC2)n[nH]1.
What is the InChIKey of (5-methyl-1H-1,2,4-triazol-3-yl)-(1,3-oxazinan-3-yl)methanone?
The InChIKey is MGHYIIIXLNIDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-6-9-7(11-10-6)8(13)12-3-2-4-14-5-12/h2-5H2,1H3,(H,9,10,11).
What are the key properties of (5-methyl-1H-1,2,4-triazol-3-yl)-(1,3-oxazinan-3-yl)methanone?
(5-methyl-1H-1,2,4-triazol-3-yl)-(1,3-oxazinan-3-yl)methanone has a molecular weight of 196.21 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-1,2,4-triazol-3-yl)-(1,3-oxazinan-3-yl)methanone is sourced from PubChem (CID 130522636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).