1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide

C13H23N7O — CID 79164963

IUPAC1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide
SMILESCN1C2CCC1CN(CCn1cc(C(=O)NN)nn1)CC2
InChIInChI=1S/C13H23N7O/c1-18-10-2-3-11(18)8-19(5-4-10)6-7-20-9-12(16-17-20)13(21)15-14/h9-11H,2-8,14H2,1H3,(H,15,21)
InChIKeyXXNSRLGZAPAWDH-UHFFFAOYSA-N
MW293.38 g/mol
LogP-0.95
Rot. Bonds4

About 1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide

1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide (PubChem CID 79164963) has the molecular formula C13H23N7O and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide
PubChem CID79164963
Molecular FormulaC13H23N7O
Molecular Weight293.38 g/mol
Exact Mass293.20
IUPAC Name1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide
SMILESCN1C2CCC1CN(CCn1cc(C(=O)NN)nn1)CC2
InChIInChI=1S/C13H23N7O/c1-18-10-2-3-11(18)8-19(5-4-10)6-7-20-9-12(16-17-20)13(21)15-14/h9-11H,2-8,14H2,1H3,(H,15,21)
InChIKeyXXNSRLGZAPAWDH-UHFFFAOYSA-N
XLogP-0.95
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide 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

2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide
CID 63579535
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]triazole-4-carbohydrazide
CID 79920562
1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carbohydrazide
CID 63573572
1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide
CID 63583913
1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide
CID 55214791
1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide
CID 63572290
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzohydrazide
CID 79164962
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]triazole-4-carbohydrazide
CID 65322216
1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methylpyrrolidine-2-carboxamide
CID 63578946
1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carbohydrazide
CID 114781911
1-(2-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
1-(2-cyclohexylsulfanylethyl)triazole-4-carbohydrazide
CID 63580319

Frequently Asked Questions

What is the IUPAC name of 1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide (CID 79164963) is 1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide is CN1C2CCC1CN(CCn1cc(C(=O)NN)nn1)CC2.
What is the InChIKey of 1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide?
The InChIKey is XXNSRLGZAPAWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7O/c1-18-10-2-3-11(18)8-19(5-4-10)6-7-20-9-12(16-17-20)13(21)15-14/h9-11H,2-8,14H2,1H3,(H,15,21).
What are the key properties of 1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide?
1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide has a molecular weight of 293.38 g/mol, XLogP of -0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 79164963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).