2-N-(2-methyltetrazol-5-yl)-1,3,4-oxadiazole-2,5-diamine

C4H6N8O — CID 130993640

IUPAC2-N-(2-methyltetrazol-5-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCn1nnc(Nc2nnc(N)o2)n1
InChIInChI=1S/C4H6N8O/c1-12-10-3(8-11-12)6-4-9-7-2(5)13-4/h1H3,(H2,5,7)(H,6,9,10)
InChIKeyLEIWPFMOWKJOOD-UHFFFAOYSA-N
MW182.15 g/mol
LogP-1.08
Rot. Bonds2

About 2-N-(2-methyltetrazol-5-yl)-1,3,4-oxadiazole-2,5-diamine

2-N-(2-methyltetrazol-5-yl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 130993640) has the molecular formula C4H6N8O and a molecular weight of 182.15 g/mol. Its IUPAC name is 2-N-(2-methyltetrazol-5-yl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-methyltetrazol-5-yl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID130993640
Molecular FormulaC4H6N8O
Molecular Weight182.15 g/mol
Exact Mass182.07
IUPAC Name2-N-(2-methyltetrazol-5-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCn1nnc(Nc2nnc(N)o2)n1
InChIInChI=1S/C4H6N8O/c1-12-10-3(8-11-12)6-4-9-7-2(5)13-4/h1H3,(H2,5,7)(H,6,9,10)
InChIKeyLEIWPFMOWKJOOD-UHFFFAOYSA-N
XLogP-1.08
TPSA120.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methyltetrazol-5-yl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(2-methyltetrazol-5-yl)-1,3,4-oxadiazole-2,5-diamine (CID 130993640) is 2-N-(2-methyltetrazol-5-yl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2-methyltetrazol-5-yl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(2-methyltetrazol-5-yl)-1,3,4-oxadiazole-2,5-diamine is Cn1nnc(Nc2nnc(N)o2)n1.
What is the InChIKey of 2-N-(2-methyltetrazol-5-yl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is LEIWPFMOWKJOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N8O/c1-12-10-3(8-11-12)6-4-9-7-2(5)13-4/h1H3,(H2,5,7)(H,6,9,10).
What are the key properties of 2-N-(2-methyltetrazol-5-yl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(2-methyltetrazol-5-yl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 182.15 g/mol, XLogP of -1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methyltetrazol-5-yl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 130993640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).