3-N-methyl-3-N-phenyl-1,2,4-oxadiazole-3,5-diamine

C9H10N4O — CID 12622408

IUPAC3-N-methyl-3-N-phenyl-1,2,4-oxadiazole-3,5-diamine
SMILESCN(c1ccccc1)c1noc(N)n1
InChIInChI=1S/C9H10N4O/c1-13(7-5-3-2-4-6-7)9-11-8(10)14-12-9/h2-6H,1H3,(H2,10,11,12)
InChIKeyAUWQQOPAQYBONF-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.42
Rot. Bonds2

About 3-N-methyl-3-N-phenyl-1,2,4-oxadiazole-3,5-diamine

3-N-methyl-3-N-phenyl-1,2,4-oxadiazole-3,5-diamine (PubChem CID 12622408) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 3-N-methyl-3-N-phenyl-1,2,4-oxadiazole-3,5-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-phenyl-1,2,4-oxadiazole-3,5-diamine
PubChem CID12622408
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name3-N-methyl-3-N-phenyl-1,2,4-oxadiazole-3,5-diamine
SMILESCN(c1ccccc1)c1noc(N)n1
InChIInChI=1S/C9H10N4O/c1-13(7-5-3-2-4-6-7)9-11-8(10)14-12-9/h2-6H,1H3,(H2,10,11,12)
InChIKeyAUWQQOPAQYBONF-UHFFFAOYSA-N
XLogP1.42
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80927617
4-hydrazinyl-6-methoxy-N-methyl-N-phenyl-1,3,5-triazin-2-amine
CID 80927383
4,6-dichloro-N-methyl-N-phenylpyrimidin-2-amine
CID 71303239
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
6-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 66803409
2-N-methyl-6-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 66802718
2-N,4-N-dimethyl-6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 16955716
ethene;N-methyl-N-phenylaniline
CID 144541479
6-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 66803026
2-N-methyl-2-N-phenyl-6-[5-[6-(propan-2-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine
CID 66803426
6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine
CID 80767341
2-N-methyl-2-N-phenyl-6-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 66802904

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-phenyl-1,2,4-oxadiazole-3,5-diamine?
The IUPAC name of 3-N-methyl-3-N-phenyl-1,2,4-oxadiazole-3,5-diamine (CID 12622408) is 3-N-methyl-3-N-phenyl-1,2,4-oxadiazole-3,5-diamine.
What is the SMILES notation for 3-N-methyl-3-N-phenyl-1,2,4-oxadiazole-3,5-diamine?
The canonical SMILES for 3-N-methyl-3-N-phenyl-1,2,4-oxadiazole-3,5-diamine is CN(c1ccccc1)c1noc(N)n1.
What is the InChIKey of 3-N-methyl-3-N-phenyl-1,2,4-oxadiazole-3,5-diamine?
The InChIKey is AUWQQOPAQYBONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-13(7-5-3-2-4-6-7)9-11-8(10)14-12-9/h2-6H,1H3,(H2,10,11,12).
What are the key properties of 3-N-methyl-3-N-phenyl-1,2,4-oxadiazole-3,5-diamine?
3-N-methyl-3-N-phenyl-1,2,4-oxadiazole-3,5-diamine has a molecular weight of 190.21 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-phenyl-1,2,4-oxadiazole-3,5-diamine is sourced from PubChem (CID 12622408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).