4-deuterio-5-methyl-1H-indazole

C8H8N2 — CID 175734709

IUPAC4-deuterio-5-methyl-1H-indazole
SMILES[2H]c1c(C)ccc2[nH]ncc12
InChIInChI=1S/C8H8N2/c1-6-2-3-8-7(4-6)5-9-10-8/h2-5H,1H3,(H,9,10)/i4D
InChIKeyDCUNRLLJHAWKRZ-QYKNYGDISA-N
MW133.17 g/mol
LogP1.87
Rot. Bonds

About 4-deuterio-5-methyl-1H-indazole

4-deuterio-5-methyl-1H-indazole (PubChem CID 175734709) has the molecular formula C8H8N2 and a molecular weight of 133.17 g/mol. Its IUPAC name is 4-deuterio-5-methyl-1H-indazole.

Molecular Properties

Compound Name4-deuterio-5-methyl-1H-indazole
PubChem CID175734709
Molecular FormulaC8H8N2
Molecular Weight133.17 g/mol
Exact Mass133.08
IUPAC Name4-deuterio-5-methyl-1H-indazole
SMILES[2H]c1c(C)ccc2[nH]ncc12
InChIInChI=1S/C8H8N2/c1-6-2-3-8-7(4-6)5-9-10-8/h2-5H,1H3,(H,9,10)/i4D
InChIKeyDCUNRLLJHAWKRZ-QYKNYGDISA-N
XLogP1.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;5-methyl-1H-indazole
CID 178026047
1H-indazol-5-amine;5-methyl-1H-indazole
CID 159974362
6-methyl-1H-indazole;molecular hydrogen
CID 142103069
ethene;6-methyl-1H-indazole
CID 123213038
5-deuterio-1H-indazole
CID 157292039
methylphosphane;1H-pyrazolo[4,5-c]pyridine
CID 169111634
1H-indazole;ruthenium(3+)
CID 158942897
1H-indazole-5-thiolate
CID 51922109
CID 142869104
CID 142869104
N-(1H-indazol-5-yl)-4-methylbenzamide
CID 17163732
(NE)-N-[1-(1H-indazol-5-yl)ethylidene]hydroxylamine
CID 87086002
5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole
CID 159145733

Frequently Asked Questions

What is the IUPAC name of 4-deuterio-5-methyl-1H-indazole?
The IUPAC name of 4-deuterio-5-methyl-1H-indazole (CID 175734709) is 4-deuterio-5-methyl-1H-indazole.
What is the SMILES notation for 4-deuterio-5-methyl-1H-indazole?
The canonical SMILES for 4-deuterio-5-methyl-1H-indazole is [2H]c1c(C)ccc2[nH]ncc12.
What is the InChIKey of 4-deuterio-5-methyl-1H-indazole?
The InChIKey is DCUNRLLJHAWKRZ-QYKNYGDISA-N. The full InChI is InChI=1S/C8H8N2/c1-6-2-3-8-7(4-6)5-9-10-8/h2-5H,1H3,(H,9,10)/i4D.
What are the key properties of 4-deuterio-5-methyl-1H-indazole?
4-deuterio-5-methyl-1H-indazole has a molecular weight of 133.17 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-5-methyl-1H-indazole is sourced from PubChem (CID 175734709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).