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

C12H13N5O2 — CID 97469213

IUPACN-[[(6S)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NC[C@H]1Cn2nncc2CO1)c1ccccn1
InChIInChI=1S/C12H13N5O2/c18-12(11-3-1-2-4-13-11)14-6-10-7-17-9(8-19-10)5-15-16-17/h1-5,10H,6-8H2,(H,14,18)/t10-/m0/s1
InChIKeyASTKOMIFMCFBRC-JTQLQIEISA-N
MW259.27 g/mol
LogP0.00
Rot. Bonds3

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

N-[[(6S)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyridine-2-carboxamide (PubChem CID 97469213) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[[(6S)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(6S)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyridine-2-carboxamide
PubChem CID97469213
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC NameN-[[(6S)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NC[C@H]1Cn2nncc2CO1)c1ccccn1
InChIInChI=1S/C12H13N5O2/c18-12(11-3-1-2-4-13-11)14-6-10-7-17-9(8-19-10)5-15-16-17/h1-5,10H,6-8H2,(H,14,18)/t10-/m0/s1
InChIKeyASTKOMIFMCFBRC-JTQLQIEISA-N
XLogP0.00
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(6S)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]pyridine-2-carboxamide
CID 94810936
N-[[(6R)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-2-(3-methoxyphenyl)acetamide
CID 97469218
N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]pyridine-2-carboxamide
CID 110741555
1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 118739128
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-2-carboxamide
CID 47005050
N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]pyridine-2-carboxamide
CID 155996114
N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 142228338
N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]pyrazine-2-carboxamide
CID 75367236
N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride
CID 120946232
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 111460504
trans-(1S,2R)-2-[(pyridine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 108732321

Frequently Asked Questions

What is the IUPAC name of N-[[(6S)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[(6S)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyridine-2-carboxamide (CID 97469213) is N-[[(6S)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[(6S)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[(6S)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyridine-2-carboxamide is O=C(NC[C@H]1Cn2nncc2CO1)c1ccccn1.
What is the InChIKey of N-[[(6S)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyridine-2-carboxamide?
The InChIKey is ASTKOMIFMCFBRC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13N5O2/c18-12(11-3-1-2-4-13-11)14-6-10-7-17-9(8-19-10)5-15-16-17/h1-5,10H,6-8H2,(H,14,18)/t10-/m0/s1.
What are the key properties of N-[[(6S)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyridine-2-carboxamide?
N-[[(6S)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyridine-2-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6S)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 97469213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).