1-(4-aminooxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone

C9H15N5O2 — CID 107062433

IUPAC1-(4-aminooxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2(N)CCOCC2)n1
InChIInChI=1S/C9H15N5O2/c1-14-12-8(11-13-14)6-7(15)9(10)2-4-16-5-3-9/h2-6,10H2,1H3
InChIKeyRQNJGNJZNOYCMH-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.17
Rot. Bonds3

About 1-(4-aminooxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone

1-(4-aminooxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107062433) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-(4-aminooxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-aminooxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107062433
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name1-(4-aminooxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2(N)CCOCC2)n1
InChIInChI=1S/C9H15N5O2/c1-14-12-8(11-13-14)6-7(15)9(10)2-4-16-5-3-9/h2-6,10H2,1H3
InChIKeyRQNJGNJZNOYCMH-UHFFFAOYSA-N
XLogP-1.17
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-Methyltetrazol-5-yl)-1-(oxan-4-yl)ethanone
CID 107047130
3-Amino-5-methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061987
1-(3-Aminooxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107062135
1-[4-(Aminomethyl)oxan-4-yl]-2-(2-methyltetrazol-5-yl)ethanone
CID 107062407
(4-Aminooxan-4-yl)-(2-methyltetrazol-5-yl)methanone
CID 130758301

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(4-aminooxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107062433) is 1-(4-aminooxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-aminooxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(4-aminooxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)C2(N)CCOCC2)n1.
What is the InChIKey of 1-(4-aminooxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is RQNJGNJZNOYCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-14-12-8(11-13-14)6-7(15)9(10)2-4-16-5-3-9/h2-6,10H2,1H3.
What are the key properties of 1-(4-aminooxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(4-aminooxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 225.25 g/mol, XLogP of -1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107062433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).