[1-(1,4-dioxepan-6-yl)tetrazol-5-yl]methanamine

C7H13N5O2 — CID 130686527

IUPAC[1-(1,4-dioxepan-6-yl)tetrazol-5-yl]methanamine
SMILESNCc1nnnn1C1COCCOC1
InChIInChI=1S/C7H13N5O2/c8-3-7-9-10-11-12(7)6-4-13-1-2-14-5-6/h6H,1-5,8H2
InChIKeyOEZZAJQDXUXPAN-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.28
Rot. Bonds2

About [1-(1,4-dioxepan-6-yl)tetrazol-5-yl]methanamine

[1-(1,4-dioxepan-6-yl)tetrazol-5-yl]methanamine (PubChem CID 130686527) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is [1-(1,4-dioxepan-6-yl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(1,4-dioxepan-6-yl)tetrazol-5-yl]methanamine
PubChem CID130686527
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name[1-(1,4-dioxepan-6-yl)tetrazol-5-yl]methanamine
SMILESNCc1nnnn1C1COCCOC1
InChIInChI=1S/C7H13N5O2/c8-3-7-9-10-11-12(7)6-4-13-1-2-14-5-6/h6H,1-5,8H2
InChIKeyOEZZAJQDXUXPAN-UHFFFAOYSA-N
XLogP-1.28
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(1,4-dioxepan-6-yl)tetrazol-5-yl]methanamine?
The IUPAC name of [1-(1,4-dioxepan-6-yl)tetrazol-5-yl]methanamine (CID 130686527) is [1-(1,4-dioxepan-6-yl)tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-(1,4-dioxepan-6-yl)tetrazol-5-yl]methanamine?
The canonical SMILES for [1-(1,4-dioxepan-6-yl)tetrazol-5-yl]methanamine is NCc1nnnn1C1COCCOC1.
What is the InChIKey of [1-(1,4-dioxepan-6-yl)tetrazol-5-yl]methanamine?
The InChIKey is OEZZAJQDXUXPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c8-3-7-9-10-11-12(7)6-4-13-1-2-14-5-6/h6H,1-5,8H2.
What are the key properties of [1-(1,4-dioxepan-6-yl)tetrazol-5-yl]methanamine?
[1-(1,4-dioxepan-6-yl)tetrazol-5-yl]methanamine has a molecular weight of 199.21 g/mol, XLogP of -1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,4-dioxepan-6-yl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 130686527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).