4-[(2-methyltetrazol-5-yl)methyl]azetidin-2-one

C6H9N5O — CID 10241164

IUPAC4-[(2-methyltetrazol-5-yl)methyl]azetidin-2-one
SMILESCn1nnc(CC2CC(=O)N2)n1
InChIInChI=1S/C6H9N5O/c1-11-9-5(8-10-11)2-4-3-6(12)7-4/h4H,2-3H2,1H3,(H,7,12)
InChIKeyWNFCPHMQZQJBPB-UHFFFAOYSA-N
MW167.17 g/mol
LogP-1.36
Rot. Bonds2

About 4-[(2-methyltetrazol-5-yl)methyl]azetidin-2-one

4-[(2-methyltetrazol-5-yl)methyl]azetidin-2-one (PubChem CID 10241164) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is 4-[(2-methyltetrazol-5-yl)methyl]azetidin-2-one.

Molecular Properties

Compound Name4-[(2-methyltetrazol-5-yl)methyl]azetidin-2-one
PubChem CID10241164
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC Name4-[(2-methyltetrazol-5-yl)methyl]azetidin-2-one
SMILESCn1nnc(CC2CC(=O)N2)n1
InChIInChI=1S/C6H9N5O/c1-11-9-5(8-10-11)2-4-3-6(12)7-4/h4H,2-3H2,1H3,(H,7,12)
InChIKeyWNFCPHMQZQJBPB-UHFFFAOYSA-N
XLogP-1.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyltetrazol-5-yl)methyl]azetidin-2-one?
The IUPAC name of 4-[(2-methyltetrazol-5-yl)methyl]azetidin-2-one (CID 10241164) is 4-[(2-methyltetrazol-5-yl)methyl]azetidin-2-one.
What is the SMILES notation for 4-[(2-methyltetrazol-5-yl)methyl]azetidin-2-one?
The canonical SMILES for 4-[(2-methyltetrazol-5-yl)methyl]azetidin-2-one is Cn1nnc(CC2CC(=O)N2)n1.
What is the InChIKey of 4-[(2-methyltetrazol-5-yl)methyl]azetidin-2-one?
The InChIKey is WNFCPHMQZQJBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c1-11-9-5(8-10-11)2-4-3-6(12)7-4/h4H,2-3H2,1H3,(H,7,12).
What are the key properties of 4-[(2-methyltetrazol-5-yl)methyl]azetidin-2-one?
4-[(2-methyltetrazol-5-yl)methyl]azetidin-2-one has a molecular weight of 167.17 g/mol, XLogP of -1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyltetrazol-5-yl)methyl]azetidin-2-one is sourced from PubChem (CID 10241164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).