1-[2-[cyclobutylmethyl(ethyl)amino]ethyl]triazole-4-carbohydrazide

C12H22N6O — CID 107402406

IUPAC1-[2-[cyclobutylmethyl(ethyl)amino]ethyl]triazole-4-carbohydrazide
SMILESCCN(CCn1cc(C(=O)NN)nn1)CC1CCC1
InChIInChI=1S/C12H22N6O/c1-2-17(8-10-4-3-5-10)6-7-18-9-11(15-16-18)12(19)14-13/h9-10H,2-8,13H2,1H3,(H,14,19)
InChIKeyXLCJNDDXMPFSTH-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.00
Rot. Bonds7

About 1-[2-[cyclobutylmethyl(ethyl)amino]ethyl]triazole-4-carbohydrazide

1-[2-[cyclobutylmethyl(ethyl)amino]ethyl]triazole-4-carbohydrazide (PubChem CID 107402406) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-[2-[cyclobutylmethyl(ethyl)amino]ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-[cyclobutylmethyl(ethyl)amino]ethyl]triazole-4-carbohydrazide
PubChem CID107402406
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name1-[2-[cyclobutylmethyl(ethyl)amino]ethyl]triazole-4-carbohydrazide
SMILESCCN(CCn1cc(C(=O)NN)nn1)CC1CCC1
InChIInChI=1S/C12H22N6O/c1-2-17(8-10-4-3-5-10)6-7-18-9-11(15-16-18)12(19)14-13/h9-10H,2-8,13H2,1H3,(H,14,19)
InChIKeyXLCJNDDXMPFSTH-UHFFFAOYSA-N
XLogP0.00
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

1-[2-[benzyl(ethyl)amino]ethyl]triazole-4-carbohydrazide
CID 63573811
1-[2-[2-(dimethylamino)ethyl-propylamino]ethyl]triazole-4-carbohydrazide
CID 63584216
1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazole-4-carbohydrazide
CID 63585470
1-[2-[bis(cyanomethyl)amino]ethyl]triazole-4-carbohydrazide
CID 63569212
1-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyltriazole-4-carboxamide
CID 107398533
1-[2-[propan-2-yl(propyl)amino]ethyl]triazole-4-carbohydrazide
CID 63574218
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-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
3-[cyclobutylmethyl(ethyl)amino]propanehydrazide
CID 107402379
1-(2-cyclohexyloxyethyl)triazole-4-carbohydrazide
CID 63588317
1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide
CID 55214791

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclobutylmethyl(ethyl)amino]ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-[cyclobutylmethyl(ethyl)amino]ethyl]triazole-4-carbohydrazide (CID 107402406) is 1-[2-[cyclobutylmethyl(ethyl)amino]ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-[cyclobutylmethyl(ethyl)amino]ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-[cyclobutylmethyl(ethyl)amino]ethyl]triazole-4-carbohydrazide is CCN(CCn1cc(C(=O)NN)nn1)CC1CCC1.
What is the InChIKey of 1-[2-[cyclobutylmethyl(ethyl)amino]ethyl]triazole-4-carbohydrazide?
The InChIKey is XLCJNDDXMPFSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-2-17(8-10-4-3-5-10)6-7-18-9-11(15-16-18)12(19)14-13/h9-10H,2-8,13H2,1H3,(H,14,19).
What are the key properties of 1-[2-[cyclobutylmethyl(ethyl)amino]ethyl]triazole-4-carbohydrazide?
1-[2-[cyclobutylmethyl(ethyl)amino]ethyl]triazole-4-carbohydrazide has a molecular weight of 266.35 g/mol, XLogP of 0.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclobutylmethyl(ethyl)amino]ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 107402406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).