2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)oxane-3-carboxamide

C10H16N4O2 — CID 154735472

IUPAC2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)oxane-3-carboxamide
SMILESCc1nc(NC(=O)C2CCCOC2C)n[nH]1
InChIInChI=1S/C10H16N4O2/c1-6-8(4-3-5-16-6)9(15)12-10-11-7(2)13-14-10/h6,8H,3-5H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyPOUKGPMZZLNTPF-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.87
Rot. Bonds2

About 2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)oxane-3-carboxamide

2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)oxane-3-carboxamide (PubChem CID 154735472) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)oxane-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)oxane-3-carboxamide
PubChem CID154735472
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)oxane-3-carboxamide
SMILESCc1nc(NC(=O)C2CCCOC2C)n[nH]1
InChIInChI=1S/C10H16N4O2/c1-6-8(4-3-5-16-6)9(15)12-10-11-7(2)13-14-10/h6,8H,3-5H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyPOUKGPMZZLNTPF-UHFFFAOYSA-N
XLogP0.87
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide
CID 78928145
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(oxolan-2-yl)acetamide
CID 78928233
2-methyl-N-(5-methyl-2-pyridinyl)oxane-3-carboxamide
CID 128999567
(2S,3S)-N-hydroxy-2-methyloxane-3-carboxamide
CID 130892243
N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-2-methyloxane-3-carboxamide
CID 154755598
(2S,3S)-2-methyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)oxane-3-carboxamide
CID 128977896
N-(5-methyl-1H-1,2,4-triazol-3-yl)thiolane-3-carboxamide
CID 80709247
1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
CID 78927453
(2S,3S)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methyloxane-3-carboxamide
CID 128987788
1-(cyclopropanecarbonyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide
CID 78928337
3-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1,3-dicarboxamide
CID 78927822
(2S,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide
CID 129400783

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)oxane-3-carboxamide?
The IUPAC name of 2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)oxane-3-carboxamide (CID 154735472) is 2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)oxane-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)oxane-3-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)oxane-3-carboxamide is Cc1nc(NC(=O)C2CCCOC2C)n[nH]1.
What is the InChIKey of 2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)oxane-3-carboxamide?
The InChIKey is POUKGPMZZLNTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6-8(4-3-5-16-6)9(15)12-10-11-7(2)13-14-10/h6,8H,3-5H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)oxane-3-carboxamide?
2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)oxane-3-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)oxane-3-carboxamide is sourced from PubChem (CID 154735472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).