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

C9H12ClN7O — CID 80689265

IUPAC4-chloro-6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCCc2ncn(C)n2)n1
InChIInChI=1S/C9H12ClN7O/c1-17-5-12-6(16-17)3-4-11-8-13-7(10)14-9(15-8)18-2/h5H,3-4H2,1-2H3,(H,11,13,14,15)
InChIKeyUTPJGPOEZKQWLA-UHFFFAOYSA-N
MW269.70 g/mol
LogP0.32
Rot. Bonds5

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

4-chloro-6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine (PubChem CID 80689265) has the molecular formula C9H12ClN7O and a molecular weight of 269.70 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
PubChem CID80689265
Molecular FormulaC9H12ClN7O
Molecular Weight269.70 g/mol
Exact Mass269.08
IUPAC Name4-chloro-6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCCc2ncn(C)n2)n1
InChIInChI=1S/C9H12ClN7O/c1-17-5-12-6(16-17)3-4-11-8-13-7(10)14-9(15-8)18-2/h5H,3-4H2,1-2H3,(H,11,13,14,15)
InChIKeyUTPJGPOEZKQWLA-UHFFFAOYSA-N
XLogP0.32
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine (CID 80689265) is 4-chloro-6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine is COc1nc(Cl)nc(NCCc2ncn(C)n2)n1.
What is the InChIKey of 4-chloro-6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is UTPJGPOEZKQWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN7O/c1-17-5-12-6(16-17)3-4-11-8-13-7(10)14-9(15-8)18-2/h5H,3-4H2,1-2H3,(H,11,13,14,15).
What are the key properties of 4-chloro-6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 269.70 g/mol, XLogP of 0.32, 5 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-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80689265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).