4-chloro-6-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazin-2-amine

C8H9ClN6O2 — CID 62859664

IUPAC4-chloro-6-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCc2nc(C)no2)n1
InChIInChI=1S/C8H9ClN6O2/c1-4-11-5(17-15-4)3-10-7-12-6(9)13-8(14-7)16-2/h3H2,1-2H3,(H,10,12,13,14)
InChIKeyRMOAHSCZRDQVIT-UHFFFAOYSA-N
MW256.65 g/mol
LogP0.84
Rot. Bonds4

About 4-chloro-6-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazin-2-amine

4-chloro-6-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazin-2-amine (PubChem CID 62859664) has the molecular formula C8H9ClN6O2 and a molecular weight of 256.65 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazin-2-amine
PubChem CID62859664
Molecular FormulaC8H9ClN6O2
Molecular Weight256.65 g/mol
Exact Mass256.05
IUPAC Name4-chloro-6-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCc2nc(C)no2)n1
InChIInChI=1S/C8H9ClN6O2/c1-4-11-5(17-15-4)3-10-7-12-6(9)13-8(14-7)16-2/h3H2,1-2H3,(H,10,12,13,14)
InChIKeyRMOAHSCZRDQVIT-UHFFFAOYSA-N
XLogP0.84
TPSA98.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.65
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-chloro-6-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 165372391
4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxy-1,3,5-triazin-2-amine
CID 106373482
2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80814249
2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562494
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
CID 155238388
N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2-dimethylpropane-1,3-diamine
CID 115303010
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]propanoic acid
CID 62859297
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 59777410
4-chloro-6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62858982
N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-difluoropropane-1,3-diamine
CID 114384320
2-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-methylpropane-1,2-diamine
CID 63194425
4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106405346

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazin-2-amine (CID 62859664) is 4-chloro-6-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazin-2-amine is COc1nc(Cl)nc(NCc2nc(C)no2)n1.
What is the InChIKey of 4-chloro-6-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is RMOAHSCZRDQVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN6O2/c1-4-11-5(17-15-4)3-10-7-12-6(9)13-8(14-7)16-2/h3H2,1-2H3,(H,10,12,13,14).
What are the key properties of 4-chloro-6-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 256.65 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 62859664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).