(3-methylazetidin-3-yl)-(2-methyltetrazol-5-yl)methanone

C7H11N5O — CID 130806381

IUPAC(3-methylazetidin-3-yl)-(2-methyltetrazol-5-yl)methanone
SMILESCn1nnc(C(=O)C2(C)CNC2)n1
InChIInChI=1S/C7H11N5O/c1-7(3-8-4-7)5(13)6-9-11-12(2)10-6/h8H,3-4H2,1-2H3
InChIKeyMSYCABOLQUENKL-UHFFFAOYSA-N
MW181.20 g/mol
LogP-1.00
Rot. Bonds2

About (3-methylazetidin-3-yl)-(2-methyltetrazol-5-yl)methanone

(3-methylazetidin-3-yl)-(2-methyltetrazol-5-yl)methanone (PubChem CID 130806381) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is (3-methylazetidin-3-yl)-(2-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-methylazetidin-3-yl)-(2-methyltetrazol-5-yl)methanone
PubChem CID130806381
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name(3-methylazetidin-3-yl)-(2-methyltetrazol-5-yl)methanone
SMILESCn1nnc(C(=O)C2(C)CNC2)n1
InChIInChI=1S/C7H11N5O/c1-7(3-8-4-7)5(13)6-9-11-12(2)10-6/h8H,3-4H2,1-2H3
InChIKeyMSYCABOLQUENKL-UHFFFAOYSA-N
XLogP-1.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(Methylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107061804
1-(Azetidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107062185
Azetidin-3-yl-(2-methyltetrazol-5-yl)methanone
CID 130758273

Frequently Asked Questions

What is the IUPAC name of (3-methylazetidin-3-yl)-(2-methyltetrazol-5-yl)methanone?
The IUPAC name of (3-methylazetidin-3-yl)-(2-methyltetrazol-5-yl)methanone (CID 130806381) is (3-methylazetidin-3-yl)-(2-methyltetrazol-5-yl)methanone.
What is the SMILES notation for (3-methylazetidin-3-yl)-(2-methyltetrazol-5-yl)methanone?
The canonical SMILES for (3-methylazetidin-3-yl)-(2-methyltetrazol-5-yl)methanone is Cn1nnc(C(=O)C2(C)CNC2)n1.
What is the InChIKey of (3-methylazetidin-3-yl)-(2-methyltetrazol-5-yl)methanone?
The InChIKey is MSYCABOLQUENKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-7(3-8-4-7)5(13)6-9-11-12(2)10-6/h8H,3-4H2,1-2H3.
What are the key properties of (3-methylazetidin-3-yl)-(2-methyltetrazol-5-yl)methanone?
(3-methylazetidin-3-yl)-(2-methyltetrazol-5-yl)methanone has a molecular weight of 181.20 g/mol, XLogP of -1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylazetidin-3-yl)-(2-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 130806381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).