1-[5-(aminomethyl)oxolan-2-yl]-2-(2-methyltetrazol-5-yl)ethanone

C9H15N5O2 — CID 107062240

IUPAC1-[5-(aminomethyl)oxolan-2-yl]-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CCC(CN)O2)n1
InChIInChI=1S/C9H15N5O2/c1-14-12-9(11-13-14)4-7(15)8-3-2-6(5-10)16-8/h6,8H,2-5,10H2,1H3
InChIKeyXPFPNSVSWSAXDF-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.17
Rot. Bonds4

About 1-[5-(aminomethyl)oxolan-2-yl]-2-(2-methyltetrazol-5-yl)ethanone

1-[5-(aminomethyl)oxolan-2-yl]-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107062240) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-[5-(aminomethyl)oxolan-2-yl]-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[5-(aminomethyl)oxolan-2-yl]-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107062240
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name1-[5-(aminomethyl)oxolan-2-yl]-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CCC(CN)O2)n1
InChIInChI=1S/C9H15N5O2/c1-14-12-9(11-13-14)4-7(15)8-3-2-6(5-10)16-8/h6,8H,2-5,10H2,1H3
InChIKeyXPFPNSVSWSAXDF-UHFFFAOYSA-N
XLogP-1.17
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
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-(oxolan-2-yl)ethanone
CID 107047124
1-(5-Methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063451
[5-(Aminomethyl)oxolan-2-yl]-(2-methyltetrazol-5-yl)methanone
CID 131071173

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)oxolan-2-yl]-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-[5-(aminomethyl)oxolan-2-yl]-2-(2-methyltetrazol-5-yl)ethanone (CID 107062240) is 1-[5-(aminomethyl)oxolan-2-yl]-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-[5-(aminomethyl)oxolan-2-yl]-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-[5-(aminomethyl)oxolan-2-yl]-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)C2CCC(CN)O2)n1.
What is the InChIKey of 1-[5-(aminomethyl)oxolan-2-yl]-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is XPFPNSVSWSAXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-14-12-9(11-13-14)4-7(15)8-3-2-6(5-10)16-8/h6,8H,2-5,10H2,1H3.
What are the key properties of 1-[5-(aminomethyl)oxolan-2-yl]-2-(2-methyltetrazol-5-yl)ethanone?
1-[5-(aminomethyl)oxolan-2-yl]-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 225.25 g/mol, XLogP of -1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)oxolan-2-yl]-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107062240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).