4-(azetidin-3-yl)-2-(cyclobutylmethyl)-1,2,4-triazol-3-one

C10H16N4O — CID 121208023

IUPAC4-(azetidin-3-yl)-2-(cyclobutylmethyl)-1,2,4-triazol-3-one
SMILESO=c1n(C2CNC2)cnn1CC1CCC1
InChIInChI=1S/C10H16N4O/c15-10-13(9-4-11-5-9)7-12-14(10)6-8-2-1-3-8/h7-9,11H,1-6H2
InChIKeyLEMPCGMWXXPYAF-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.01
Rot. Bonds3

About 4-(azetidin-3-yl)-2-(cyclobutylmethyl)-1,2,4-triazol-3-one

4-(azetidin-3-yl)-2-(cyclobutylmethyl)-1,2,4-triazol-3-one (PubChem CID 121208023) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-2-(cyclobutylmethyl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-(azetidin-3-yl)-2-(cyclobutylmethyl)-1,2,4-triazol-3-one
PubChem CID121208023
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-(azetidin-3-yl)-2-(cyclobutylmethyl)-1,2,4-triazol-3-one
SMILESO=c1n(C2CNC2)cnn1CC1CCC1
InChIInChI=1S/C10H16N4O/c15-10-13(9-4-11-5-9)7-12-14(10)6-8-2-1-3-8/h7-9,11H,1-6H2
InChIKeyLEMPCGMWXXPYAF-UHFFFAOYSA-N
XLogP-0.01
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-Cyclopropyl-2-(methylamino)ethyl]-4-methyl-1,2,4-triazol-3-one
CID 81946964
2-[2-(Ethylamino)-3-methylpentyl]-4-methyl-1,2,4-triazol-3-one
CID 81947072
4-Methyl-2-[3-methyl-2-(methylamino)pentyl]-1,2,4-triazol-3-one
CID 81947469
2-(2-Amino-3-methylpentyl)-4-methyl-1,2,4-triazol-3-one
CID 81947485
4-Methyl-2-[3-methyl-2-(propylamino)pentyl]-1,2,4-triazol-3-one
CID 81947904
4-Methyl-2-[3-methyl-2-(methylamino)butyl]-1,2,4-triazol-3-one
CID 81948128
4-(azetidin-3-yl)-2-(cyclopropylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 121208022
4-(azetidin-3-yl)-2-cyclopentyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 121208024
4-(azetidin-3-yl)-2-(cyclobutylmethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 121208036
4-(azetidin-3-yl)-2-(cyclobutylmethyl)-5-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 121208050
4-(azetidin-3-yl)-5-cyclobutyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 121208072
4-(azetidin-3-yl)-5-cyclobutyl-2-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 121208073

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-2-(cyclobutylmethyl)-1,2,4-triazol-3-one?
The IUPAC name of 4-(azetidin-3-yl)-2-(cyclobutylmethyl)-1,2,4-triazol-3-one (CID 121208023) is 4-(azetidin-3-yl)-2-(cyclobutylmethyl)-1,2,4-triazol-3-one.
What is the SMILES notation for 4-(azetidin-3-yl)-2-(cyclobutylmethyl)-1,2,4-triazol-3-one?
The canonical SMILES for 4-(azetidin-3-yl)-2-(cyclobutylmethyl)-1,2,4-triazol-3-one is O=c1n(C2CNC2)cnn1CC1CCC1.
What is the InChIKey of 4-(azetidin-3-yl)-2-(cyclobutylmethyl)-1,2,4-triazol-3-one?
The InChIKey is LEMPCGMWXXPYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c15-10-13(9-4-11-5-9)7-12-14(10)6-8-2-1-3-8/h7-9,11H,1-6H2.
What are the key properties of 4-(azetidin-3-yl)-2-(cyclobutylmethyl)-1,2,4-triazol-3-one?
4-(azetidin-3-yl)-2-(cyclobutylmethyl)-1,2,4-triazol-3-one has a molecular weight of 208.26 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)-2-(cyclobutylmethyl)-1,2,4-triazol-3-one is sourced from PubChem (CID 121208023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).