N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C16H15N7O — CID 154801796

IUPACN-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESO=C(Nc1nnc2nc[nH]n12)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C16H15N7O/c24-14(20-16-22-21-15-17-8-18-23(15)16)11-6-3-5-10-9-4-1-2-7-12(9)19-13(10)11/h3,5-6,8,19H,1-2,4,7H2,(H,17,18,21)(H,20,22,24)
InChIKeyPWOPRVIIDSJTNW-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.06
Rot. Bonds2

About N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 154801796) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID154801796
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC NameN-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESO=C(Nc1nnc2nc[nH]n12)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C16H15N7O/c24-14(20-16-22-21-15-17-8-18-23(15)16)11-6-3-5-10-9-4-1-2-7-12(9)19-13(10)11/h3,5-6,8,19H,1-2,4,7H2,(H,17,18,21)(H,20,22,24)
InChIKeyPWOPRVIIDSJTNW-UHFFFAOYSA-N
XLogP2.06
TPSA103.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(1H-1,2,4-triazol-3-yl)[2,3-dimethyl-1-benzylindol-5-yl]carboxamide
CID 794531
1H-indol-3-yl-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 87052035
3-(1H-indol-3-yl)-N-(4H-1,2,4-triazol-3-yl)propanamide
CID 30866253
N-{3-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-5-yl}pyridine-3-carboxamide
CID 71708931
N-[3-(1,2,4-triazol-1-yl)-phenyl]-3-methyl-2-trifluoromethyl-1H-indole-7-carboxamide
CID 23503686
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 52575139
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55813226
N-(5-(4-fluorobenzyl)-1H-1,2,4-triazol-3-yl)-1-methyl-1H-indole-3-carboxamide
CID 60175570
2,3-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carboxamide
CID 78854409
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 132375463
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 133924863
N-[[3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1H-1,2,4-triazol-5-yl]methyl]-N-methyl-1H-indole-7-carboxamide
CID 154785314

Frequently Asked Questions

What is the IUPAC name of N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 154801796) is N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is O=C(Nc1nnc2nc[nH]n12)c1cccc2c3c([nH]c12)CCCC3.
What is the InChIKey of N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is PWOPRVIIDSJTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c24-14(20-16-22-21-15-17-8-18-23(15)16)11-6-3-5-10-9-4-1-2-7-12(9)19-13(10)11/h3,5-6,8,19H,1-2,4,7H2,(H,17,18,21)(H,20,22,24).
What are the key properties of N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 154801796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).