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

C17H19N5O — CID 71929435

IUPACN-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(NCCc1ncn[nH]1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C17H19N5O/c23-17(18-8-7-16-19-10-20-22-16)11-5-6-15-13(9-11)12-3-1-2-4-14(12)21-15/h5-6,9-10,21H,1-4,7-8H2,(H,18,23)(H,19,20,22)
InChIKeyFGAYFXYXJHHZEV-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.14
Rot. Bonds4

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

N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 71929435) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID71929435
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(NCCc1ncn[nH]1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C17H19N5O/c23-17(18-8-7-16-19-10-20-22-16)11-5-6-15-13(9-11)12-3-1-2-4-14(12)21-15/h5-6,9-10,21H,1-4,7-8H2,(H,18,23)(H,19,20,22)
InChIKeyFGAYFXYXJHHZEV-UHFFFAOYSA-N
XLogP2.14
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27548310
3-hydroxy-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64548149
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 24641089
N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 35377516
N-[3-(2-hydroxyethoxy)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110023973
6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide
CID 115283343
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 64532197
N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46560236
ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 156841300
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide
CID 64518388
3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
CID 3428305

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 71929435) is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is O=C(NCCc1ncn[nH]1)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is FGAYFXYXJHHZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c23-17(18-8-7-16-19-10-20-22-16)11-5-6-15-13(9-11)12-3-1-2-4-14(12)21-15/h5-6,9-10,21H,1-4,7-8H2,(H,18,23)(H,19,20,22).
What are the key properties of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 71929435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).