1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one

C8H13N5O — CID 107062169

IUPAC1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCn1nnc(CC(=O)CC2CNC2)n1
InChIInChI=1S/C8H13N5O/c1-13-11-8(10-12-13)3-7(14)2-6-4-9-5-6/h6,9H,2-5H2,1H3
InChIKeyQFDXFIQKOGGXLU-UHFFFAOYSA-N
MW195.23 g/mol
LogP-1.07
Rot. Bonds4

About 1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one

1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one (PubChem CID 107062169) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
PubChem CID107062169
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCn1nnc(CC(=O)CC2CNC2)n1
InChIInChI=1S/C8H13N5O/c1-13-11-8(10-12-13)3-7(14)2-6-4-9-5-6/h6,9H,2-5H2,1H3
InChIKeyQFDXFIQKOGGXLU-UHFFFAOYSA-N
XLogP-1.07
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one
CID 107061884
1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one
CID 107063286
1-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107063454
1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one
CID 107062212
1-(2-methyltetrazol-5-yl)-4-piperidin-4-ylbutan-2-one
CID 107061940
4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107046864
1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047263
4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047057
1-ethylsulfanyl-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047098
1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107063602
1-(2-methyltetrazol-5-yl)-4-piperidin-3-ylpentan-2-one
CID 107062305
4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061833

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one?
The IUPAC name of 1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one (CID 107062169) is 1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one?
The canonical SMILES for 1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one is Cn1nnc(CC(=O)CC2CNC2)n1.
What is the InChIKey of 1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one?
The InChIKey is QFDXFIQKOGGXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-13-11-8(10-12-13)3-7(14)2-6-4-9-5-6/h6,9H,2-5H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one?
1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one has a molecular weight of 195.23 g/mol, XLogP of -1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one is sourced from PubChem (CID 107062169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).