azetidin-1-yl-[4-(1H-1,2,4-triazol-5-yl)oxan-4-yl]methanone

C11H16N4O2 — CID 166310213

IUPACazetidin-1-yl-[4-(1H-1,2,4-triazol-5-yl)oxan-4-yl]methanone
SMILESO=C(N1CCC1)C1(c2ncn[nH]2)CCOCC1
InChIInChI=1S/C11H16N4O2/c16-10(15-4-1-5-15)11(2-6-17-7-3-11)9-12-8-13-14-9/h8H,1-7H2,(H,12,13,14)
InChIKeyBMGWADDQNBDALF-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.09
Rot. Bonds2

About azetidin-1-yl-[4-(1H-1,2,4-triazol-5-yl)oxan-4-yl]methanone

azetidin-1-yl-[4-(1H-1,2,4-triazol-5-yl)oxan-4-yl]methanone (PubChem CID 166310213) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is azetidin-1-yl-[4-(1H-1,2,4-triazol-5-yl)oxan-4-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[4-(1H-1,2,4-triazol-5-yl)oxan-4-yl]methanone
PubChem CID166310213
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Nameazetidin-1-yl-[4-(1H-1,2,4-triazol-5-yl)oxan-4-yl]methanone
SMILESO=C(N1CCC1)C1(c2ncn[nH]2)CCOCC1
InChIInChI=1S/C11H16N4O2/c16-10(15-4-1-5-15)11(2-6-17-7-3-11)9-12-8-13-14-9/h8H,1-7H2,(H,12,13,14)
InChIKeyBMGWADDQNBDALF-UHFFFAOYSA-N
XLogP0.09
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide
CID 55038199
4-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxane-4-carboxamide
CID 63330490
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide
CID 64509897
4-(aminomethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide
CID 64509969
4-(aminomethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide
CID 64511306
N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxane-4-carboxamide
CID 64517815
4-cyano-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide
CID 64518659
4-carbamothioyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide
CID 64518855
4-carbamothioyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxane-4-carboxamide
CID 64529394
4-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide
CID 64529433
4-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxane-4-carboxamide
CID 64529787
4-(aminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxane-4-carboxamide
CID 64530235

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[4-(1H-1,2,4-triazol-5-yl)oxan-4-yl]methanone?
The IUPAC name of azetidin-1-yl-[4-(1H-1,2,4-triazol-5-yl)oxan-4-yl]methanone (CID 166310213) is azetidin-1-yl-[4-(1H-1,2,4-triazol-5-yl)oxan-4-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[4-(1H-1,2,4-triazol-5-yl)oxan-4-yl]methanone?
The canonical SMILES for azetidin-1-yl-[4-(1H-1,2,4-triazol-5-yl)oxan-4-yl]methanone is O=C(N1CCC1)C1(c2ncn[nH]2)CCOCC1.
What is the InChIKey of azetidin-1-yl-[4-(1H-1,2,4-triazol-5-yl)oxan-4-yl]methanone?
The InChIKey is BMGWADDQNBDALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c16-10(15-4-1-5-15)11(2-6-17-7-3-11)9-12-8-13-14-9/h8H,1-7H2,(H,12,13,14).
What are the key properties of azetidin-1-yl-[4-(1H-1,2,4-triazol-5-yl)oxan-4-yl]methanone?
azetidin-1-yl-[4-(1H-1,2,4-triazol-5-yl)oxan-4-yl]methanone has a molecular weight of 236.27 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[4-(1H-1,2,4-triazol-5-yl)oxan-4-yl]methanone is sourced from PubChem (CID 166310213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).