N-(1,2-oxazol-5-ylmethyl)-2H-tetrazol-5-amine

C5H6N6O — CID 164651684

IUPACN-(1,2-oxazol-5-ylmethyl)-2H-tetrazol-5-amine
SMILESc1cc(CNc2nn[nH]n2)on1
InChIInChI=1S/C5H6N6O/c1-2-7-12-4(1)3-6-5-8-10-11-9-5/h1-2H,3H2,(H2,6,8,9,10,11)
InChIKeyAOTNLVRWKDHYBX-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.20
Rot. Bonds3

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

N-(1,2-oxazol-5-ylmethyl)-2H-tetrazol-5-amine (PubChem CID 164651684) has the molecular formula C5H6N6O and a molecular weight of 166.14 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-2H-tetrazol-5-amine
PubChem CID164651684
Molecular FormulaC5H6N6O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-2H-tetrazol-5-amine
SMILESc1cc(CNc2nn[nH]n2)on1
InChIInChI=1S/C5H6N6O/c1-2-7-12-4(1)3-6-5-8-10-11-9-5/h1-2H,3H2,(H2,6,8,9,10,11)
InChIKeyAOTNLVRWKDHYBX-UHFFFAOYSA-N
XLogP-0.20
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-2H-tetrazol-5-amine?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-2H-tetrazol-5-amine (CID 164651684) is N-(1,2-oxazol-5-ylmethyl)-2H-tetrazol-5-amine.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-2H-tetrazol-5-amine?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-2H-tetrazol-5-amine is c1cc(CNc2nn[nH]n2)on1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-2H-tetrazol-5-amine?
The InChIKey is AOTNLVRWKDHYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6O/c1-2-7-12-4(1)3-6-5-8-10-11-9-5/h1-2H,3H2,(H2,6,8,9,10,11).
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-2H-tetrazol-5-amine?
N-(1,2-oxazol-5-ylmethyl)-2H-tetrazol-5-amine has a molecular weight of 166.14 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-2H-tetrazol-5-amine is sourced from PubChem (CID 164651684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).