5-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-amine

C8H12N6O — CID 106963058

IUPAC5-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(Nc2ccn(C)n2)o1
InChIInChI=1S/C8H12N6O/c1-9-5-7-11-12-8(15-7)10-6-3-4-14(2)13-6/h3-4,9H,5H2,1-2H3,(H,10,12,13)
InChIKeyKTVPLKMJOZPMBA-UHFFFAOYSA-N
MW208.23 g/mol
LogP0.27
Rot. Bonds4

About 5-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-amine

5-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106963058) has the molecular formula C8H12N6O and a molecular weight of 208.23 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106963058
Molecular FormulaC8H12N6O
Molecular Weight208.23 g/mol
Exact Mass208.11
IUPAC Name5-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(Nc2ccn(C)n2)o1
InChIInChI=1S/C8H12N6O/c1-9-5-7-11-12-8(15-7)10-6-3-4-14(2)13-6/h3-4,9H,5H2,1-2H3,(H,10,12,13)
InChIKeyKTVPLKMJOZPMBA-UHFFFAOYSA-N
XLogP0.27
TPSA80.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-amine (CID 106963058) is 5-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-amine is CNCc1nnc(Nc2ccn(C)n2)o1.
What is the InChIKey of 5-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is KTVPLKMJOZPMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c1-9-5-7-11-12-8(15-7)10-6-3-4-14(2)13-6/h3-4,9H,5H2,1-2H3,(H,10,12,13).
What are the key properties of 5-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-amine?
5-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 208.23 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).