(4-aminooxan-4-yl)-(2-methyltetrazol-5-yl)methanone

C8H13N5O2 — CID 130758301

IUPAC(4-aminooxan-4-yl)-(2-methyltetrazol-5-yl)methanone
SMILESCn1nnc(C(=O)C2(N)CCOCC2)n1
InChIInChI=1S/C8H13N5O2/c1-13-11-7(10-12-13)6(14)8(9)2-4-15-5-3-8/h2-5,9H2,1H3
InChIKeyLUEZYXNSBZYVJT-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.10
Rot. Bonds2

About (4-aminooxan-4-yl)-(2-methyltetrazol-5-yl)methanone

(4-aminooxan-4-yl)-(2-methyltetrazol-5-yl)methanone (PubChem CID 130758301) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is (4-aminooxan-4-yl)-(2-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-aminooxan-4-yl)-(2-methyltetrazol-5-yl)methanone
PubChem CID130758301
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name(4-aminooxan-4-yl)-(2-methyltetrazol-5-yl)methanone
SMILESCn1nnc(C(=O)C2(N)CCOCC2)n1
InChIInChI=1S/C8H13N5O2/c1-13-11-7(10-12-13)6(14)8(9)2-4-15-5-3-8/h2-5,9H2,1H3
InChIKeyLUEZYXNSBZYVJT-UHFFFAOYSA-N
XLogP-1.10
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2-Methyltetrazol-5-yl)methyl]oxan-4-amine
CID 107046694
1-(4-Aminooxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107062433
(3-Aminooxolan-3-yl)-(2-methyltetrazol-5-yl)methanone
CID 130758289
(2-Methyltetrazol-5-yl)-(oxan-4-yl)methanone
CID 130920828

Frequently Asked Questions

What is the IUPAC name of (4-aminooxan-4-yl)-(2-methyltetrazol-5-yl)methanone?
The IUPAC name of (4-aminooxan-4-yl)-(2-methyltetrazol-5-yl)methanone (CID 130758301) is (4-aminooxan-4-yl)-(2-methyltetrazol-5-yl)methanone.
What is the SMILES notation for (4-aminooxan-4-yl)-(2-methyltetrazol-5-yl)methanone?
The canonical SMILES for (4-aminooxan-4-yl)-(2-methyltetrazol-5-yl)methanone is Cn1nnc(C(=O)C2(N)CCOCC2)n1.
What is the InChIKey of (4-aminooxan-4-yl)-(2-methyltetrazol-5-yl)methanone?
The InChIKey is LUEZYXNSBZYVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-13-11-7(10-12-13)6(14)8(9)2-4-15-5-3-8/h2-5,9H2,1H3.
What are the key properties of (4-aminooxan-4-yl)-(2-methyltetrazol-5-yl)methanone?
(4-aminooxan-4-yl)-(2-methyltetrazol-5-yl)methanone has a molecular weight of 211.22 g/mol, XLogP of -1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxan-4-yl)-(2-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 130758301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).