ethane;3-methyl-5H-[1,2,4]triazino[5,6-b]indole

C12H14N4 — CID 91259298

IUPACethane;3-methyl-5H-[1,2,4]triazino[5,6-b]indole
SMILESCC.Cc1nnc2c(n1)[nH]c1ccccc12
InChIInChI=1S/C10H8N4.C2H6/c1-6-11-10-9(14-13-6)7-4-2-3-5-8(7)12-10;1-2/h2-5H,1H3,(H,11,12,13);1-2H3
InChIKeyHPSHNJCXIZPUAT-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.84
Rot. Bonds

About ethane;3-methyl-5H-[1,2,4]triazino[5,6-b]indole

ethane;3-methyl-5H-[1,2,4]triazino[5,6-b]indole (PubChem CID 91259298) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is ethane;3-methyl-5H-[1,2,4]triazino[5,6-b]indole.

Molecular Properties

Compound Nameethane;3-methyl-5H-[1,2,4]triazino[5,6-b]indole
PubChem CID91259298
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Nameethane;3-methyl-5H-[1,2,4]triazino[5,6-b]indole
SMILESCC.Cc1nnc2c(n1)[nH]c1ccccc12
InChIInChI=1S/C10H8N4.C2H6/c1-6-11-10-9(14-13-6)7-4-2-3-5-8(7)12-10;1-2/h2-5H,1H3,(H,11,12,13);1-2H3
InChIKeyHPSHNJCXIZPUAT-UHFFFAOYSA-N
XLogP2.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5H-[1,2,4]triazino[5,6-b]indole-3-thiolate
CID 6412479
N-[(Z)-[(2Z)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)ethylidene]amino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6415570
ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoate
CID 19204589
N',N'-dipropyl-N-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)hexane-1,6-diamine
CID 172966155
N-[2-(3-methylphenyl)ethyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 11392509
3-[(2,5-dimethylphenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
CID 8916968
3,3-dimethyl-1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butan-2-one
CID 6414090
N-(1-phenylpropan-2-ylideneamino)-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6754175
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
9H-[1,2,4]triazino[6,5-b]indol-3-ylhydrazine
CID 6401400
4-(8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-yl)-N,N-dimethylaniline
CID 135603427

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5H-[1,2,4]triazino[5,6-b]indole?
The IUPAC name of ethane;3-methyl-5H-[1,2,4]triazino[5,6-b]indole (CID 91259298) is ethane;3-methyl-5H-[1,2,4]triazino[5,6-b]indole.
What is the SMILES notation for ethane;3-methyl-5H-[1,2,4]triazino[5,6-b]indole?
The canonical SMILES for ethane;3-methyl-5H-[1,2,4]triazino[5,6-b]indole is CC.Cc1nnc2c(n1)[nH]c1ccccc12.
What is the InChIKey of ethane;3-methyl-5H-[1,2,4]triazino[5,6-b]indole?
The InChIKey is HPSHNJCXIZPUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4.C2H6/c1-6-11-10-9(14-13-6)7-4-2-3-5-8(7)12-10;1-2/h2-5H,1H3,(H,11,12,13);1-2H3.
What are the key properties of ethane;3-methyl-5H-[1,2,4]triazino[5,6-b]indole?
ethane;3-methyl-5H-[1,2,4]triazino[5,6-b]indole has a molecular weight of 214.27 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5H-[1,2,4]triazino[5,6-b]indole is sourced from PubChem (CID 91259298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).