4-methyl-[1,2,4]triazino[3,2-a]isoquinoline

C12H11N3 — CID 140590948

IUPAC4-methyl-[1,2,4]triazino[3,2-a]isoquinoline
SMILESCN1C=CN=C2c3ccccc3C=CN21
InChIInChI=1S/C12H11N3/c1-14-9-7-13-12-11-5-3-2-4-10(11)6-8-15(12)14/h2-9H,1H3
InChIKeyXCBGPEJZNJATSB-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.05
Rot. Bonds

About 4-methyl-[1,2,4]triazino[3,2-a]isoquinoline

4-methyl-[1,2,4]triazino[3,2-a]isoquinoline (PubChem CID 140590948) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-methyl-[1,2,4]triazino[3,2-a]isoquinoline.

Molecular Properties

Compound Name4-methyl-[1,2,4]triazino[3,2-a]isoquinoline
PubChem CID140590948
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name4-methyl-[1,2,4]triazino[3,2-a]isoquinoline
SMILESCN1C=CN=C2c3ccccc3C=CN21
InChIInChI=1S/C12H11N3/c1-14-9-7-13-12-11-5-3-2-4-10(11)6-8-15(12)14/h2-9H,1H3
InChIKeyXCBGPEJZNJATSB-UHFFFAOYSA-N
XLogP2.05
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene
CID 145387131
5-methylbenzo[d][1]benzazepine
CID 67174397
8H-isoquinolino[1,2-b]quinazoline
CID 132503377
3,3-dimethyl-2-phenyl-[1,2,4,3]triazasilolo[5,4-a]isoquinoline
CID 177409767
3,13-diazapentacyclo[14.2.2.02,15.03,12.06,11]icosa-2(15),4,6,8,10,12-hexaene
CID 146184173
11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine
CID 12909385
1-butyl-4-inden-1-ylidenepyridine
CID 91539953
(5Z)-5-[(2Z)-2-(2-methylisoquinolin-1-ylidene)ethylidene]quinolin-8-one
CID 54612153
tricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 123254733
3aH-benzo[g]indole
CID 70367392
2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 14290121
3-hydroxy-3-benzazepine
CID 56629441

Frequently Asked Questions

What is the IUPAC name of 4-methyl-[1,2,4]triazino[3,2-a]isoquinoline?
The IUPAC name of 4-methyl-[1,2,4]triazino[3,2-a]isoquinoline (CID 140590948) is 4-methyl-[1,2,4]triazino[3,2-a]isoquinoline.
What is the SMILES notation for 4-methyl-[1,2,4]triazino[3,2-a]isoquinoline?
The canonical SMILES for 4-methyl-[1,2,4]triazino[3,2-a]isoquinoline is CN1C=CN=C2c3ccccc3C=CN21.
What is the InChIKey of 4-methyl-[1,2,4]triazino[3,2-a]isoquinoline?
The InChIKey is XCBGPEJZNJATSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-14-9-7-13-12-11-5-3-2-4-10(11)6-8-15(12)14/h2-9H,1H3.
What are the key properties of 4-methyl-[1,2,4]triazino[3,2-a]isoquinoline?
4-methyl-[1,2,4]triazino[3,2-a]isoquinoline has a molecular weight of 197.24 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-[1,2,4]triazino[3,2-a]isoquinoline is sourced from PubChem (CID 140590948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).