10-chloro-4-methyl-[1,2,4]triazino[4,5-a]indole

C11H8ClN3 — CID 171988497

IUPAC10-chloro-4-methyl-[1,2,4]triazino[4,5-a]indole
SMILESCc1nncc2c(Cl)c3ccccc3n12
InChIInChI=1S/C11H8ClN3/c1-7-14-13-6-10-11(12)8-4-2-3-5-9(8)15(7)10/h2-6H,1H3
InChIKeyUQXALAKCCFJWLL-UHFFFAOYSA-N
MW217.66 g/mol
LogP2.84
Rot. Bonds

About 10-chloro-4-methyl-[1,2,4]triazino[4,5-a]indole

10-chloro-4-methyl-[1,2,4]triazino[4,5-a]indole (PubChem CID 171988497) has the molecular formula C11H8ClN3 and a molecular weight of 217.66 g/mol. Its IUPAC name is 10-chloro-4-methyl-[1,2,4]triazino[4,5-a]indole.

Molecular Properties

Compound Name10-chloro-4-methyl-[1,2,4]triazino[4,5-a]indole
PubChem CID171988497
Molecular FormulaC11H8ClN3
Molecular Weight217.66 g/mol
Exact Mass217.04
IUPAC Name10-chloro-4-methyl-[1,2,4]triazino[4,5-a]indole
SMILESCc1nncc2c(Cl)c3ccccc3n12
InChIInChI=1S/C11H8ClN3/c1-7-14-13-6-10-11(12)8-4-2-3-5-9(8)15(7)10/h2-6H,1H3
InChIKeyUQXALAKCCFJWLL-UHFFFAOYSA-N
XLogP2.84
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-4-methyl-[1,2,4]triazino[4,5-a]indole?
The IUPAC name of 10-chloro-4-methyl-[1,2,4]triazino[4,5-a]indole (CID 171988497) is 10-chloro-4-methyl-[1,2,4]triazino[4,5-a]indole.
What is the SMILES notation for 10-chloro-4-methyl-[1,2,4]triazino[4,5-a]indole?
The canonical SMILES for 10-chloro-4-methyl-[1,2,4]triazino[4,5-a]indole is Cc1nncc2c(Cl)c3ccccc3n12.
What is the InChIKey of 10-chloro-4-methyl-[1,2,4]triazino[4,5-a]indole?
The InChIKey is UQXALAKCCFJWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3/c1-7-14-13-6-10-11(12)8-4-2-3-5-9(8)15(7)10/h2-6H,1H3.
What are the key properties of 10-chloro-4-methyl-[1,2,4]triazino[4,5-a]indole?
10-chloro-4-methyl-[1,2,4]triazino[4,5-a]indole has a molecular weight of 217.66 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-4-methyl-[1,2,4]triazino[4,5-a]indole is sourced from PubChem (CID 171988497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).