3-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine

C10H12N4O — CID 106393358

IUPAC3-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine
SMILESCc1cccc(N)c1NCc1ncon1
InChIInChI=1S/C10H12N4O/c1-7-3-2-4-8(11)10(7)12-5-9-13-6-15-14-9/h2-4,6,12H,5,11H2,1H3
InChIKeyBBGDEDOFQKGWPG-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.57
Rot. Bonds3

About 3-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine

3-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine (PubChem CID 106393358) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine
PubChem CID106393358
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine
SMILESCc1cccc(N)c1NCc1ncon1
InChIInChI=1S/C10H12N4O/c1-7-3-2-4-8(11)10(7)12-5-9-13-6-15-14-9/h2-4,6,12H,5,11H2,1H3
InChIKeyBBGDEDOFQKGWPG-UHFFFAOYSA-N
XLogP1.57
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,4-diamine
CID 106393331
3-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine
CID 115550367
2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106391343
3-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine
CID 106393336
3-bromo-4-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2,5-diamine
CID 106393535
2-amino-3-(1,2,4-oxadiazol-3-ylmethylamino)benzamide
CID 106407353
2-amino-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide
CID 106393454
4-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine
CID 106393220
3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 82668611
3-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazine-2,3-diamine
CID 106411526
4-amino-N,N-dimethyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide
CID 106393237
6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
CID 106403626

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 3-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine (CID 106393358) is 3-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 3-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine is Cc1cccc(N)c1NCc1ncon1.
What is the InChIKey of 3-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine?
The InChIKey is BBGDEDOFQKGWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7-3-2-4-8(11)10(7)12-5-9-13-6-15-14-9/h2-4,6,12H,5,11H2,1H3.
What are the key properties of 3-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine?
3-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine has a molecular weight of 204.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 106393358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).