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

C7H10N6O — CID 103437400

IUPAC2-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCc1nn(C)cc1Nc1nnc(N)o1
InChIInChI=1S/C7H10N6O/c1-4-5(3-13(2)12-4)9-7-11-10-6(8)14-7/h3H,1-2H3,(H2,8,10)(H,9,11)
InChIKeyHMLUZXDOMSGFKK-UHFFFAOYSA-N
MW194.20 g/mol
LogP0.44
Rot. Bonds2

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

2-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103437400) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103437400
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name2-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCc1nn(C)cc1Nc1nnc(N)o1
InChIInChI=1S/C7H10N6O/c1-4-5(3-13(2)12-4)9-7-11-10-6(8)14-7/h3H,1-2H3,(H2,8,10)(H,9,11)
InChIKeyHMLUZXDOMSGFKK-UHFFFAOYSA-N
XLogP0.44
TPSA94.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazole-2,5-diamine (CID 103437400) is 2-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazole-2,5-diamine is Cc1nn(C)cc1Nc1nnc(N)o1.
What is the InChIKey of 2-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is HMLUZXDOMSGFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c1-4-5(3-13(2)12-4)9-7-11-10-6(8)14-7/h3H,1-2H3,(H2,8,10)(H,9,11).
What are the key properties of 2-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 194.20 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103437400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).