N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-carboxamide

C15H16N6O2S — CID 118741124

IUPACN-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-carboxamide
SMILESCn1cc(-c2nnn3c2COC(CNC(=O)c2cccs2)C3)cn1
InChIInChI=1S/C15H16N6O2S/c1-20-7-10(5-17-20)14-12-9-23-11(8-21(12)19-18-14)6-16-15(22)13-3-2-4-24-13/h2-5,7,11H,6,8-9H2,1H3,(H,16,22)
InChIKeyCEUBBNHBMHRQTM-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.07
Rot. Bonds4

About N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-carboxamide

N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-carboxamide (PubChem CID 118741124) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-carboxamide
PubChem CID118741124
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC NameN-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-carboxamide
SMILESCn1cc(-c2nnn3c2COC(CNC(=O)c2cccs2)C3)cn1
InChIInChI=1S/C15H16N6O2S/c1-20-7-10(5-17-20)14-12-9-23-11(8-21(12)19-18-14)6-16-15(22)13-3-2-4-24-13/h2-5,7,11H,6,8-9H2,1H3,(H,16,22)
InChIKeyCEUBBNHBMHRQTM-UHFFFAOYSA-N
XLogP1.07
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-carboxamide (CID 118741124) is N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-carboxamide is Cn1cc(-c2nnn3c2COC(CNC(=O)c2cccs2)C3)cn1.
What is the InChIKey of N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-carboxamide?
The InChIKey is CEUBBNHBMHRQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-20-7-10(5-17-20)14-12-9-23-11(8-21(12)19-18-14)6-16-15(22)13-3-2-4-24-13/h2-5,7,11H,6,8-9H2,1H3,(H,16,22).
What are the key properties of N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-carboxamide?
N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 118741124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).