ethane;5-methyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole

C18H22N6 — CID 91465577

IUPACethane;5-methyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole
SMILESCC.Cc1nn(-c2nnc3c4ccccc4n(C)c3n2)c(C)c1C
InChIInChI=1S/C16H16N6.C2H6/c1-9-10(2)20-22(11(9)3)16-17-15-14(18-19-16)12-7-5-6-8-13(12)21(15)4;1-2/h5-8H,1-4H3;1-2H3
InChIKeyWYMAHDTYTNSMHP-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.65
Rot. Bonds1

About ethane;5-methyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole

ethane;5-methyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole (PubChem CID 91465577) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is ethane;5-methyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole.

Molecular Properties

Compound Nameethane;5-methyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole
PubChem CID91465577
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Nameethane;5-methyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole
SMILESCC.Cc1nn(-c2nnc3c4ccccc4n(C)c3n2)c(C)c1C
InChIInChI=1S/C16H16N6.C2H6/c1-9-10(2)20-22(11(9)3)16-17-15-14(18-19-16)12-7-5-6-8-13(12)21(15)4;1-2/h5-8H,1-4H3;1-2H3
InChIKeyWYMAHDTYTNSMHP-UHFFFAOYSA-N
XLogP3.65
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethane;5-methyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole with MolForge

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Related Compounds

3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole
CID 59010754
5-butyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole
CID 11336584
3-(4-benzhydryl-3,5-dimethylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole
CID 11317078
3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole
CID 59010755
4-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)morpholine
CID 6414498
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazino[5,6-b]indole
CID 22519480
4-[[1-(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]benzoic acid
CID 11453071
8-methyl-14-(4-methylphenyl)-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene
CID 117058463
2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid
CID 3129853
ethane;1,2,3-trimethylindole
CID 91590745
5-methyl-N-[(E)-(4-methylphenyl)methylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine
CID 45037539
2-chloro-N-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)acetamide
CID 66489936

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole?
The IUPAC name of ethane;5-methyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole (CID 91465577) is ethane;5-methyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole.
What is the SMILES notation for ethane;5-methyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole?
The canonical SMILES for ethane;5-methyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole is CC.Cc1nn(-c2nnc3c4ccccc4n(C)c3n2)c(C)c1C.
What is the InChIKey of ethane;5-methyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole?
The InChIKey is WYMAHDTYTNSMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6.C2H6/c1-9-10(2)20-22(11(9)3)16-17-15-14(18-19-16)12-7-5-6-8-13(12)21(15)4;1-2/h5-8H,1-4H3;1-2H3.
What are the key properties of ethane;5-methyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole?
ethane;5-methyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole has a molecular weight of 322.42 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole is sourced from PubChem (CID 91465577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).