3-methyl-1H-indole;1-methyl-2-(4,6,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-3-yl)hydrazine

C19H19N7 — CID 143276370

IUPAC3-methyl-1H-indole;1-methyl-2-(4,6,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-3-yl)hydrazine
SMILESCNNc1ncnc2nn3ccccc3c12.Cc1c[nH]c2ccccc12
InChIInChI=1S/C10H10N6.C9H9N/c1-11-14-9-8-7-4-2-3-5-16(7)15-10(8)13-6-12-9;1-7-6-10-9-5-3-2-4-8(7)9/h2-6,11H,1H3,(H,12,13,14,15);2-6,10H,1H3
InChIKeyNEKFCWHEFKUQCN-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.30
Rot. Bonds2

About 3-methyl-1H-indole;1-methyl-2-(4,6,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-3-yl)hydrazine

3-methyl-1H-indole;1-methyl-2-(4,6,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-3-yl)hydrazine (PubChem CID 143276370) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-methyl-1H-indole;1-methyl-2-(4,6,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-3-yl)hydrazine.

Molecular Properties

Compound Name3-methyl-1H-indole;1-methyl-2-(4,6,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-3-yl)hydrazine
PubChem CID143276370
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name3-methyl-1H-indole;1-methyl-2-(4,6,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-3-yl)hydrazine
SMILESCNNc1ncnc2nn3ccccc3c12.Cc1c[nH]c2ccccc12
InChIInChI=1S/C10H10N6.C9H9N/c1-11-14-9-8-7-4-2-3-5-16(7)15-10(8)13-6-12-9;1-7-6-10-9-5-3-2-4-8(7)9/h2-6,11H,1H3,(H,12,13,14,15);2-6,10H,1H3
InChIKeyNEKFCWHEFKUQCN-UHFFFAOYSA-N
XLogP3.30
TPSA82.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-methyl-1H-indole;1-methyl-2-(4,6,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-3-yl)hydrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-indole;1-methyl-2-(4,6,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-3-yl)hydrazine?
The IUPAC name of 3-methyl-1H-indole;1-methyl-2-(4,6,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-3-yl)hydrazine (CID 143276370) is 3-methyl-1H-indole;1-methyl-2-(4,6,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-3-yl)hydrazine.
What is the SMILES notation for 3-methyl-1H-indole;1-methyl-2-(4,6,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-3-yl)hydrazine?
The canonical SMILES for 3-methyl-1H-indole;1-methyl-2-(4,6,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-3-yl)hydrazine is CNNc1ncnc2nn3ccccc3c12.Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-methyl-1H-indole;1-methyl-2-(4,6,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-3-yl)hydrazine?
The InChIKey is NEKFCWHEFKUQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6.C9H9N/c1-11-14-9-8-7-4-2-3-5-16(7)15-10(8)13-6-12-9;1-7-6-10-9-5-3-2-4-8(7)9/h2-6,11H,1H3,(H,12,13,14,15);2-6,10H,1H3.
What are the key properties of 3-methyl-1H-indole;1-methyl-2-(4,6,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-3-yl)hydrazine?
3-methyl-1H-indole;1-methyl-2-(4,6,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-3-yl)hydrazine has a molecular weight of 345.41 g/mol, XLogP of 3.30, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-indole;1-methyl-2-(4,6,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-3-yl)hydrazine is sourced from PubChem (CID 143276370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).