N-[[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]cyclopropanesulfonamide

C13H18N6O3S — CID 97391347

IUPACN-[[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]cyclopropanesulfonamide
SMILESCn1cc(-c2nnn3c2CO[C@H](CNS(=O)(=O)C2CC2)C3)cn1
InChIInChI=1S/C13H18N6O3S/c1-18-6-9(4-14-18)13-12-8-22-10(7-19(12)17-16-13)5-15-23(20,21)11-2-3-11/h4,6,10-11,15H,2-3,5,7-8H2,1H3/t10-/m1/s1
InChIKeyQDBJXSJBZAXTMA-SNVBAGLBSA-N
MW338.39 g/mol
LogP-0.34
Rot. Bonds5

About N-[[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]cyclopropanesulfonamide

N-[[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]cyclopropanesulfonamide (PubChem CID 97391347) has the molecular formula C13H18N6O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]cyclopropanesulfonamide
PubChem CID97391347
Molecular FormulaC13H18N6O3S
Molecular Weight338.39 g/mol
Exact Mass338.12
IUPAC NameN-[[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]cyclopropanesulfonamide
SMILESCn1cc(-c2nnn3c2CO[C@H](CNS(=O)(=O)C2CC2)C3)cn1
InChIInChI=1S/C13H18N6O3S/c1-18-6-9(4-14-18)13-12-8-22-10(7-19(12)17-16-13)5-15-23(20,21)11-2-3-11/h4,6,10-11,15H,2-3,5,7-8H2,1H3/t10-/m1/s1
InChIKeyQDBJXSJBZAXTMA-SNVBAGLBSA-N
XLogP-0.34
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]cyclopropanesulfonamide with MolForge

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Related Compounds

1-[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 97383651
1-[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 97469248
N-[(4-methoxyphenyl)methyl]-1-[(6R)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine
CID 97383659
N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]propane-1-sulfonamide
CID 131647206
N-[(1-methylpyrazol-4-yl)methyl]-1-[(6S)-3-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine
CID 97383673
1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]imidazole-4-sulfonamide
CID 131647944
2-methoxy-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]acetamide
CID 118743015
1-[(6R)-3-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 97383670
N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyrimidin-2-amine
CID 134072304
N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]oxolane-3-carboxamide
CID 134072332
2-ethoxy-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
CID 97391396
[3-(furan-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine
CID 134069785

Frequently Asked Questions

What is the IUPAC name of N-[[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]cyclopropanesulfonamide (CID 97391347) is N-[[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]cyclopropanesulfonamide is Cn1cc(-c2nnn3c2CO[C@H](CNS(=O)(=O)C2CC2)C3)cn1.
What is the InChIKey of N-[[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]cyclopropanesulfonamide?
The InChIKey is QDBJXSJBZAXTMA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N6O3S/c1-18-6-9(4-14-18)13-12-8-22-10(7-19(12)17-16-13)5-15-23(20,21)11-2-3-11/h4,6,10-11,15H,2-3,5,7-8H2,1H3/t10-/m1/s1.
What are the key properties of N-[[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]cyclopropanesulfonamide?
N-[[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]cyclopropanesulfonamide has a molecular weight of 338.39 g/mol, XLogP of -0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 97391347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).