1-[4-(aminomethyl)oxan-4-yl]-2-(2-methyltetrazol-5-yl)ethanone

C10H17N5O2 — CID 107062407

IUPAC1-[4-(aminomethyl)oxan-4-yl]-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2(CN)CCOCC2)n1
InChIInChI=1S/C10H17N5O2/c1-15-13-9(12-14-15)6-8(16)10(7-11)2-4-17-5-3-10/h2-7,11H2,1H3
InChIKeyASLDTWQBYJQXFW-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.92
Rot. Bonds4

About 1-[4-(aminomethyl)oxan-4-yl]-2-(2-methyltetrazol-5-yl)ethanone

1-[4-(aminomethyl)oxan-4-yl]-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107062407) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-[4-(aminomethyl)oxan-4-yl]-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[4-(aminomethyl)oxan-4-yl]-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107062407
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name1-[4-(aminomethyl)oxan-4-yl]-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2(CN)CCOCC2)n1
InChIInChI=1S/C10H17N5O2/c1-15-13-9(12-14-15)6-8(16)10(7-11)2-4-17-5-3-10/h2-7,11H2,1H3
InChIKeyASLDTWQBYJQXFW-UHFFFAOYSA-N
XLogP-0.92
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[(2-Methyltetrazol-5-yl)methyl]oxan-3-yl]methanamine
CID 105793768
2-(2-Methyltetrazol-5-yl)-1-(oxan-4-yl)ethanone
CID 107047130
1-(4-Methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047523
1-(4-Ethoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047525
1-(4-Aminooxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107062433
Ethyl 2-(aminomethyl)-2-[(2-methyltetrazol-5-yl)methyl]pentanoate
CID 107067047

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)oxan-4-yl]-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-[4-(aminomethyl)oxan-4-yl]-2-(2-methyltetrazol-5-yl)ethanone (CID 107062407) is 1-[4-(aminomethyl)oxan-4-yl]-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-[4-(aminomethyl)oxan-4-yl]-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-[4-(aminomethyl)oxan-4-yl]-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)C2(CN)CCOCC2)n1.
What is the InChIKey of 1-[4-(aminomethyl)oxan-4-yl]-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is ASLDTWQBYJQXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-15-13-9(12-14-15)6-8(16)10(7-11)2-4-17-5-3-10/h2-7,11H2,1H3.
What are the key properties of 1-[4-(aminomethyl)oxan-4-yl]-2-(2-methyltetrazol-5-yl)ethanone?
1-[4-(aminomethyl)oxan-4-yl]-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 239.28 g/mol, XLogP of -0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)oxan-4-yl]-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107062407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).