1-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine

C5H6N6O — CID 81174319

IUPAC1-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine
SMILESNc1nnnn1Cc1ccon1
InChIInChI=1S/C5H6N6O/c6-5-7-9-10-11(5)3-4-1-2-12-8-4/h1-2H,3H2,(H2,6,7,10)
InChIKeyLXBQOJJGUZWYMH-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.71
Rot. Bonds2

About 1-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine

1-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine (PubChem CID 81174319) has the molecular formula C5H6N6O and a molecular weight of 166.14 g/mol. Its IUPAC name is 1-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine
PubChem CID81174319
Molecular FormulaC5H6N6O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name1-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine
SMILESNc1nnnn1Cc1ccon1
InChIInChI=1S/C5H6N6O/c6-5-7-9-10-11(5)3-4-1-2-12-8-4/h1-2H,3H2,(H2,6,7,10)
InChIKeyLXBQOJJGUZWYMH-UHFFFAOYSA-N
XLogP-0.71
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine?
The IUPAC name of 1-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine (CID 81174319) is 1-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine.
What is the SMILES notation for 1-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine?
The canonical SMILES for 1-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine is Nc1nnnn1Cc1ccon1.
What is the InChIKey of 1-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine?
The InChIKey is LXBQOJJGUZWYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6O/c6-5-7-9-10-11(5)3-4-1-2-12-8-4/h1-2H,3H2,(H2,6,7,10).
What are the key properties of 1-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine?
1-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine has a molecular weight of 166.14 g/mol, XLogP of -0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine is sourced from PubChem (CID 81174319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).