5-chloro-6-fluoro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,2,4-triamine

C10H11ClFN5O — CID 106393058

IUPAC5-chloro-6-fluoro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,2,4-triamine
SMILESCc1nc(CNc2c(N)cc(N)c(Cl)c2F)no1
InChIInChI=1S/C10H11ClFN5O/c1-4-16-7(17-18-4)3-15-10-6(14)2-5(13)8(11)9(10)12/h2,15H,3,13-14H2,1H3
InChIKeyVYBPWIIOIOEEQH-UHFFFAOYSA-N
MW271.68 g/mol
LogP1.95
Rot. Bonds3

About 5-chloro-6-fluoro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,2,4-triamine

5-chloro-6-fluoro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,2,4-triamine (PubChem CID 106393058) has the molecular formula C10H11ClFN5O and a molecular weight of 271.68 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,2,4-triamine.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,2,4-triamine
PubChem CID106393058
Molecular FormulaC10H11ClFN5O
Molecular Weight271.68 g/mol
Exact Mass271.06
IUPAC Name5-chloro-6-fluoro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,2,4-triamine
SMILESCc1nc(CNc2c(N)cc(N)c(Cl)c2F)no1
InChIInChI=1S/C10H11ClFN5O/c1-4-16-7(17-18-4)3-15-10-6(14)2-5(13)8(11)9(10)12/h2,15H,3,13-14H2,1H3
InChIKeyVYBPWIIOIOEEQH-UHFFFAOYSA-N
XLogP1.95
TPSA102.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.68
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-4-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 113369511
2,6-dichloro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,4-diamine
CID 114182998
2,3,5,6-tetrafluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 107912090
3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine
CID 106411585
3,5-difluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile
CID 103703159
2-fluoro-5-methoxy-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,4-diamine
CID 106393186
2,3,4-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103742013
3-amino-4-bromo-5-chloro-2-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106391937
ethyl 5-amino-3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzoate
CID 106407271
[4-[(4,6-diamino-3-chloro-2-fluoroanilino)methyl]phenyl]methanol
CID 107231596
4,5-dimethoxy-2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,2-diamine
CID 106393136
2-bromo-6-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746575

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,2,4-triamine?
The IUPAC name of 5-chloro-6-fluoro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,2,4-triamine (CID 106393058) is 5-chloro-6-fluoro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,2,4-triamine.
What is the SMILES notation for 5-chloro-6-fluoro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,2,4-triamine?
The canonical SMILES for 5-chloro-6-fluoro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,2,4-triamine is Cc1nc(CNc2c(N)cc(N)c(Cl)c2F)no1.
What is the InChIKey of 5-chloro-6-fluoro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,2,4-triamine?
The InChIKey is VYBPWIIOIOEEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN5O/c1-4-16-7(17-18-4)3-15-10-6(14)2-5(13)8(11)9(10)12/h2,15H,3,13-14H2,1H3.
What are the key properties of 5-chloro-6-fluoro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,2,4-triamine?
5-chloro-6-fluoro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,2,4-triamine has a molecular weight of 271.68 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,2,4-triamine is sourced from PubChem (CID 106393058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).