6-(1,2,4-triazol-4-yl)-2,3-dihydro-1H-indole

C10H10N4 — CID 82512186

IUPAC6-(1,2,4-triazol-4-yl)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1-n1cnnc1)NCC2
InChIInChI=1S/C10H10N4/c1-2-9(14-6-12-13-7-14)5-10-8(1)3-4-11-10/h1-2,5-7,11H,3-4H2
InChIKeyWGLBDOUAAQXPFD-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.24
Rot. Bonds1

About 6-(1,2,4-triazol-4-yl)-2,3-dihydro-1H-indole

6-(1,2,4-triazol-4-yl)-2,3-dihydro-1H-indole (PubChem CID 82512186) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 6-(1,2,4-triazol-4-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-(1,2,4-triazol-4-yl)-2,3-dihydro-1H-indole
PubChem CID82512186
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name6-(1,2,4-triazol-4-yl)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1-n1cnnc1)NCC2
InChIInChI=1S/C10H10N4/c1-2-9(14-6-12-13-7-14)5-10-8(1)3-4-11-10/h1-2,5-7,11H,3-4H2
InChIKeyWGLBDOUAAQXPFD-UHFFFAOYSA-N
XLogP1.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(triazol-1-yl)-2,3-dihydro-1H-indole
CID 82512188
6-(3-methyl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole
CID 82512309
4-(2,3-dihydro-1H-indol-6-yl)morpholine
CID 39240725
1-(2,3-dihydro-1H-indol-6-yl)-1,3-diazinane-2,4-dione
CID 163231111
1-(2,3-dihydro-1H-indol-6-yl)-3-methylimidazolidin-2-one
CID 82512682
6-bromo-2,3-dihydro-1H-indole
CID 13098379
7-(3-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81224448
7-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 52983751
2-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylethanamine
CID 115105305
2-[[1-(2,3-dihydro-1H-indol-6-yl)triazol-4-yl]methyl]propane-1,3-diol
CID 166393549
7-(2-ethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81224686
6-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 116698590

Frequently Asked Questions

What is the IUPAC name of 6-(1,2,4-triazol-4-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 6-(1,2,4-triazol-4-yl)-2,3-dihydro-1H-indole (CID 82512186) is 6-(1,2,4-triazol-4-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-(1,2,4-triazol-4-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 6-(1,2,4-triazol-4-yl)-2,3-dihydro-1H-indole is c1cc2c(cc1-n1cnnc1)NCC2.
What is the InChIKey of 6-(1,2,4-triazol-4-yl)-2,3-dihydro-1H-indole?
The InChIKey is WGLBDOUAAQXPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-2-9(14-6-12-13-7-14)5-10-8(1)3-4-11-10/h1-2,5-7,11H,3-4H2.
What are the key properties of 6-(1,2,4-triazol-4-yl)-2,3-dihydro-1H-indole?
6-(1,2,4-triazol-4-yl)-2,3-dihydro-1H-indole has a molecular weight of 186.22 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,4-triazol-4-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 82512186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).