4-(1H-indol-3-yl)-3,5,6,13-tetrazatricyclo[7.3.1.03,7]trideca-4,6-diene

C17H19N5 — CID 167746153

IUPAC4-(1H-indol-3-yl)-3,5,6,13-tetrazatricyclo[7.3.1.03,7]trideca-4,6-diene
SMILESc1ccc2c(-c3nnc4n3CC3CCCC(C4)N3)c[nH]c2c1
InChIInChI=1S/C17H19N5/c1-2-7-15-13(6-1)14(9-18-15)17-21-20-16-8-11-4-3-5-12(19-11)10-22(16)17/h1-2,6-7,9,11-12,18-19H,3-5,8,10H2
InChIKeyVJNNOSGFIKNHGM-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.49
Rot. Bonds1

About 4-(1H-indol-3-yl)-3,5,6,13-tetrazatricyclo[7.3.1.03,7]trideca-4,6-diene

4-(1H-indol-3-yl)-3,5,6,13-tetrazatricyclo[7.3.1.03,7]trideca-4,6-diene (PubChem CID 167746153) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-3,5,6,13-tetrazatricyclo[7.3.1.03,7]trideca-4,6-diene.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-3,5,6,13-tetrazatricyclo[7.3.1.03,7]trideca-4,6-diene
PubChem CID167746153
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name4-(1H-indol-3-yl)-3,5,6,13-tetrazatricyclo[7.3.1.03,7]trideca-4,6-diene
SMILESc1ccc2c(-c3nnc4n3CC3CCCC(C4)N3)c[nH]c2c1
InChIInChI=1S/C17H19N5/c1-2-7-15-13(6-1)14(9-18-15)17-21-20-16-8-11-4-3-5-12(19-11)10-22(16)17/h1-2,6-7,9,11-12,18-19H,3-5,8,10H2
InChIKeyVJNNOSGFIKNHGM-UHFFFAOYSA-N
XLogP2.49
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1H-indol-3-yl)-3,5,6,13-tetrazatricyclo[7.3.1.03,7]trideca-4,6-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-cyclopropyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]-1H-indole
CID 135623263
5-(1H-indol-3-yl)-4-phenyl-1,2,4-triazole-3-thiolate
CID 4963878
3-[4-cyclopropyl-5-[1-(4-fluorophenyl)ethylsulfanyl]-1,2,4-triazol-3-yl]-1H-indole
CID 135623392
3-[4-cyclopropyl-5-[(1S)-1-(4-fluorophenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]-1H-indole
CID 136920143
3-[4-cyclopropyl-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-1H-indole
CID 135724695
3-(5-cyclobutyl-1-methyl-1,2,4-triazol-3-yl)-1H-indole
CID 137108562
3-[4-cyclopropyl-5-(3-methylbut-2-enylsulfanyl)-1,2,4-triazol-3-yl]-1H-indole
CID 135687357
3-[6-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole
CID 66846763
2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole
CID 135876288
4-[(2-phenylphenoxy)methyl]-3,5,6,12-tetrazatricyclo[7.2.1.03,7]dodeca-4,6-diene
CID 167747940
3-(4-methyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)-1H-indole
CID 5048396
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-3,5,6,13-tetrazatricyclo[7.3.1.03,7]trideca-4,6-diene?
The IUPAC name of 4-(1H-indol-3-yl)-3,5,6,13-tetrazatricyclo[7.3.1.03,7]trideca-4,6-diene (CID 167746153) is 4-(1H-indol-3-yl)-3,5,6,13-tetrazatricyclo[7.3.1.03,7]trideca-4,6-diene.
What is the SMILES notation for 4-(1H-indol-3-yl)-3,5,6,13-tetrazatricyclo[7.3.1.03,7]trideca-4,6-diene?
The canonical SMILES for 4-(1H-indol-3-yl)-3,5,6,13-tetrazatricyclo[7.3.1.03,7]trideca-4,6-diene is c1ccc2c(-c3nnc4n3CC3CCCC(C4)N3)c[nH]c2c1.
What is the InChIKey of 4-(1H-indol-3-yl)-3,5,6,13-tetrazatricyclo[7.3.1.03,7]trideca-4,6-diene?
The InChIKey is VJNNOSGFIKNHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-2-7-15-13(6-1)14(9-18-15)17-21-20-16-8-11-4-3-5-12(19-11)10-22(16)17/h1-2,6-7,9,11-12,18-19H,3-5,8,10H2.
What are the key properties of 4-(1H-indol-3-yl)-3,5,6,13-tetrazatricyclo[7.3.1.03,7]trideca-4,6-diene?
4-(1H-indol-3-yl)-3,5,6,13-tetrazatricyclo[7.3.1.03,7]trideca-4,6-diene has a molecular weight of 293.37 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-3,5,6,13-tetrazatricyclo[7.3.1.03,7]trideca-4,6-diene is sourced from PubChem (CID 167746153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).