6-deuterio-1-propylindazole

C10H12N2 — CID 175709834

IUPAC6-deuterio-1-propylindazole
SMILES[2H]c1ccc2cnn(CCC)c2c1
InChIInChI=1S/C10H12N2/c1-2-7-12-10-6-4-3-5-9(10)8-11-12/h3-6,8H,2,7H2,1H3/i4D
InChIKeyRZKWVEZVXKPEIV-QYKNYGDISA-N
MW161.23 g/mol
LogP2.45
Rot. Bonds2

About 6-deuterio-1-propylindazole

6-deuterio-1-propylindazole (PubChem CID 175709834) has the molecular formula C10H12N2 and a molecular weight of 161.23 g/mol. Its IUPAC name is 6-deuterio-1-propylindazole.

Molecular Properties

Compound Name6-deuterio-1-propylindazole
PubChem CID175709834
Molecular FormulaC10H12N2
Molecular Weight161.23 g/mol
Exact Mass161.11
IUPAC Name6-deuterio-1-propylindazole
SMILES[2H]c1ccc2cnn(CCC)c2c1
InChIInChI=1S/C10H12N2/c1-2-7-12-10-6-4-3-5-9(10)8-11-12/h3-6,8H,2,7H2,1H3/i4D
InChIKeyRZKWVEZVXKPEIV-QYKNYGDISA-N
XLogP2.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-deuterio-1-ethylindazole
CID 175709829
1-propylindazole
CID 18695497
1-ethylindazole;propane
CID 143188130
1-(4-chlorobutyl)indazole
CID 62140548
ethane;2-indazol-1-yl-N,N-dimethylethanamine;propane
CID 145062231
5-indazol-1-yl-N-propylpentan-1-amine
CID 62448825
azane;6-phenylsulfanyl-1-propylindazole
CID 66838329
4-indazol-1-yl-2-methylbutan-2-ol
CID 79360866
6-indazol-1-ylhexan-3-amine
CID 106800346
N-(indazol-1-ylmethyl)ethanamine
CID 57195663
4-indazol-1-ylbutan-1-ol
CID 62142094
3-indazol-1-ylpropanoic acid
CID 805922

Frequently Asked Questions

What is the IUPAC name of 6-deuterio-1-propylindazole?
The IUPAC name of 6-deuterio-1-propylindazole (CID 175709834) is 6-deuterio-1-propylindazole.
What is the SMILES notation for 6-deuterio-1-propylindazole?
The canonical SMILES for 6-deuterio-1-propylindazole is [2H]c1ccc2cnn(CCC)c2c1.
What is the InChIKey of 6-deuterio-1-propylindazole?
The InChIKey is RZKWVEZVXKPEIV-QYKNYGDISA-N. The full InChI is InChI=1S/C10H12N2/c1-2-7-12-10-6-4-3-5-9(10)8-11-12/h3-6,8H,2,7H2,1H3/i4D.
What are the key properties of 6-deuterio-1-propylindazole?
6-deuterio-1-propylindazole has a molecular weight of 161.23 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-deuterio-1-propylindazole is sourced from PubChem (CID 175709834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).