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

C10H13ClN6O2 — CID 106405346

IUPAC4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1nc(CNc2nc(Cl)nc(OC(C)C)n2)no1
InChIInChI=1S/C10H13ClN6O2/c1-5(2)18-10-15-8(11)14-9(16-10)12-4-7-13-6(3)19-17-7/h5H,4H2,1-3H3,(H,12,14,15,16)
InChIKeySJKZHOIINFAXHC-UHFFFAOYSA-N
MW284.71 g/mol
LogP1.62
Rot. Bonds5

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

4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 106405346) has the molecular formula C10H13ClN6O2 and a molecular weight of 284.71 g/mol. Its IUPAC name is 4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID106405346
Molecular FormulaC10H13ClN6O2
Molecular Weight284.71 g/mol
Exact Mass284.08
IUPAC Name4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1nc(CNc2nc(Cl)nc(OC(C)C)n2)no1
InChIInChI=1S/C10H13ClN6O2/c1-5(2)18-10-15-8(11)14-9(16-10)12-4-7-13-6(3)19-17-7/h5H,4H2,1-3H3,(H,12,14,15,16)
InChIKeySJKZHOIINFAXHC-UHFFFAOYSA-N
XLogP1.62
TPSA98.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 106405346) is 4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is Cc1nc(CNc2nc(Cl)nc(OC(C)C)n2)no1.
What is the InChIKey of 4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is SJKZHOIINFAXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6O2/c1-5(2)18-10-15-8(11)14-9(16-10)12-4-7-13-6(3)19-17-7/h5H,4H2,1-3H3,(H,12,14,15,16).
What are the key properties of 4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 284.71 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 106405346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).