3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine

C9H9Cl2N5O — CID 106411585

IUPAC3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine
SMILESCc1nc(CNc2nc(N)c(Cl)cc2Cl)no1
InChIInChI=1S/C9H9Cl2N5O/c1-4-14-7(16-17-4)3-13-9-6(11)2-5(10)8(12)15-9/h2H,3H2,1H3,(H3,12,13,15)
InChIKeyLYUZQRNCGGPSLM-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.27
Rot. Bonds3

About 3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine

3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine (PubChem CID 106411585) has the molecular formula C9H9Cl2N5O and a molecular weight of 274.11 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine
PubChem CID106411585
Molecular FormulaC9H9Cl2N5O
Molecular Weight274.11 g/mol
Exact Mass273.02
IUPAC Name3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine
SMILESCc1nc(CNc2nc(N)c(Cl)cc2Cl)no1
InChIInChI=1S/C9H9Cl2N5O/c1-4-14-7(16-17-4)3-13-9-6(11)2-5(10)8(12)15-9/h2H,3H2,1H3,(H3,12,13,15)
InChIKeyLYUZQRNCGGPSLM-UHFFFAOYSA-N
XLogP2.27
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dichloro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,4-diamine
CID 114182998
3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
CID 103748375
5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 102677497
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516
2,6-dichloro-4-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 113369511
2-chloro-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103768023
5-chloro-6-fluoro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,2,4-triamine
CID 106393058
3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756384
4-methyl-2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,3-diamine
CID 106393081
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-4,5-diamine
CID 106392946
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 114185482
6-hydrazinyl-2,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 106412399

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine (CID 106411585) is 3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine is Cc1nc(CNc2nc(N)c(Cl)cc2Cl)no1.
What is the InChIKey of 3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine?
The InChIKey is LYUZQRNCGGPSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N5O/c1-4-14-7(16-17-4)3-13-9-6(11)2-5(10)8(12)15-9/h2H,3H2,1H3,(H3,12,13,15).
What are the key properties of 3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine?
3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine has a molecular weight of 274.11 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 106411585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).