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

C16H15N5O2S — CID 118743001

IUPACN-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]thiophene-3-carboxamide
SMILESO=C(NCC1Cn2nnc(-c3ccncc3)c2CO1)c1ccsc1
InChIInChI=1S/C16H15N5O2S/c22-16(12-3-6-24-10-12)18-7-13-8-21-14(9-23-13)15(19-20-21)11-1-4-17-5-2-11/h1-6,10,13H,7-9H2,(H,18,22)
InChIKeyOEQUFNYJHXLUBN-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.73
Rot. Bonds4

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

N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]thiophene-3-carboxamide (PubChem CID 118743001) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]thiophene-3-carboxamide
PubChem CID118743001
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC NameN-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]thiophene-3-carboxamide
SMILESO=C(NCC1Cn2nnc(-c3ccncc3)c2CO1)c1ccsc1
InChIInChI=1S/C16H15N5O2S/c22-16(12-3-6-24-10-12)18-7-13-8-21-14(9-23-13)15(19-20-21)11-1-4-17-5-2-11/h1-6,10,13H,7-9H2,(H,18,22)
InChIKeyOEQUFNYJHXLUBN-UHFFFAOYSA-N
XLogP1.73
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]thiophene-3-carboxamide (CID 118743001) is N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]thiophene-3-carboxamide is O=C(NCC1Cn2nnc(-c3ccncc3)c2CO1)c1ccsc1.
What is the InChIKey of N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]thiophene-3-carboxamide?
The InChIKey is OEQUFNYJHXLUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c22-16(12-3-6-24-10-12)18-7-13-8-21-14(9-23-13)15(19-20-21)11-1-4-17-5-2-11/h1-6,10,13H,7-9H2,(H,18,22).
What are the key properties of N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]thiophene-3-carboxamide?
N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]thiophene-3-carboxamide has a molecular weight of 341.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 118743001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).