1-methyl-3,5-ditritioindazole

C8H8N2 — CID 59056046

IUPAC1-methyl-3,5-ditritioindazole
SMILES[3H]c1ccc2c(c1)c([3H])nn2C
InChIInChI=1S/C8H8N2/c1-10-8-5-3-2-4-7(8)6-9-10/h2-6H,1H3/i2T,6T
InChIKeyCSUGQXMRKOKBFI-VULYCBOSSA-N
MW136.18 g/mol
LogP1.57
Rot. Bonds

About 1-methyl-3,5-ditritioindazole

1-methyl-3,5-ditritioindazole (PubChem CID 59056046) has the molecular formula C8H8N2 and a molecular weight of 136.18 g/mol. Its IUPAC name is 1-methyl-3,5-ditritioindazole.

Molecular Properties

Compound Name1-methyl-3,5-ditritioindazole
PubChem CID59056046
Molecular FormulaC8H8N2
Molecular Weight136.18 g/mol
Exact Mass136.09
IUPAC Name1-methyl-3,5-ditritioindazole
SMILES[3H]c1ccc2c(c1)c([3H])nn2C
InChIInChI=1S/C8H8N2/c1-10-8-5-3-2-4-7(8)6-9-10/h2-6H,1H3/i2T,6T
InChIKeyCSUGQXMRKOKBFI-VULYCBOSSA-N
XLogP1.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.18
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methane;1-methylindazole
CID 142166782
1,5-dimethylindazole;ethane
CID 90788862
5-(3-fluorophenyl)-1-methylindazole
CID 134375389
1-methylbenzo[h]isoquinoline;1-methylindazole
CID 143194474
1-methylpyrazolo[5,4-c]pyridine
CID 59421465
5-deuterio-1-(trideuteriomethyl)indazole
CID 175805089
9-(5-carbazol-9-yl-1-methylindazol-6-yl)carbazole
CID 163427007
(NE)-N-[1-(1-methylindazol-4-yl)ethylidene]hydroxylamine
CID 137308281
5-chloro-1-methylpyrazolo[4,3-d]pyrimidine
CID 71743115
3-propan-2-yl-2-tritiopyrazolo[1,5-a]pyridine
CID 155790140
1-methylindazole-5-carbonitrile
CID 10583041
4-(fluoromethyl)-1-methylindazole
CID 84651809

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-ditritioindazole?
The IUPAC name of 1-methyl-3,5-ditritioindazole (CID 59056046) is 1-methyl-3,5-ditritioindazole.
What is the SMILES notation for 1-methyl-3,5-ditritioindazole?
The canonical SMILES for 1-methyl-3,5-ditritioindazole is [3H]c1ccc2c(c1)c([3H])nn2C.
What is the InChIKey of 1-methyl-3,5-ditritioindazole?
The InChIKey is CSUGQXMRKOKBFI-VULYCBOSSA-N. The full InChI is InChI=1S/C8H8N2/c1-10-8-5-3-2-4-7(8)6-9-10/h2-6H,1H3/i2T,6T.
What are the key properties of 1-methyl-3,5-ditritioindazole?
1-methyl-3,5-ditritioindazole has a molecular weight of 136.18 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-ditritioindazole is sourced from PubChem (CID 59056046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).