6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide

C14H17N3O — CID 84613636

IUPAC6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide
SMILESCC1CCc2[nH]c3c(C(=O)NN)cccc3c2C1
InChIInChI=1S/C14H17N3O/c1-8-5-6-12-11(7-8)9-3-2-4-10(13(9)16-12)14(18)17-15/h2-4,8,16H,5-7,15H2,1H3,(H,17,18)
InChIKeyOZYWTWSNGGXWED-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.90
Rot. Bonds1

About 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide

6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide (PubChem CID 84613636) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide.

Molecular Properties

Compound Name6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide
PubChem CID84613636
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide
SMILESCC1CCc2[nH]c3c(C(=O)NN)cccc3c2C1
InChIInChI=1S/C14H17N3O/c1-8-5-6-12-11(7-8)9-3-2-4-10(13(9)16-12)14(18)17-15/h2-4,8,16H,5-7,15H2,1H3,(H,17,18)
InChIKeyOZYWTWSNGGXWED-UHFFFAOYSA-N
XLogP1.90
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate
CID 95253356
(6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 38012087
(6R)-N-[(2S)-5-hydroxypentan-2-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 97321534
6-methyl-N-pyridin-3-yl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46437559
6-methyl-N-(oxan-2-yloxy)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 51130596
(6R)-6-methyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 52535773
6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 60549922
(6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 97023855
6-methyl-N-[3-(methylsulfonylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 71685691
6-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55720593
6-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 56523381
(6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 94185005

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide?
The IUPAC name of 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide (CID 84613636) is 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide.
What is the SMILES notation for 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide?
The canonical SMILES for 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide is CC1CCc2[nH]c3c(C(=O)NN)cccc3c2C1.
What is the InChIKey of 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide?
The InChIKey is OZYWTWSNGGXWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-8-5-6-12-11(7-8)9-3-2-4-10(13(9)16-12)14(18)17-15/h2-4,8,16H,5-7,15H2,1H3,(H,17,18).
What are the key properties of 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide?
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide has a molecular weight of 243.31 g/mol, XLogP of 1.90, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide is sourced from PubChem (CID 84613636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).