1-[2-[furan-2-ylmethyl(methyl)amino]ethyl]triazole-4-carbohydrazide

C11H16N6O2 — CID 55214989

IUPAC1-[2-[furan-2-ylmethyl(methyl)amino]ethyl]triazole-4-carbohydrazide
SMILESCN(CCn1cc(C(=O)NN)nn1)Cc1ccco1
InChIInChI=1S/C11H16N6O2/c1-16(7-9-3-2-6-19-9)4-5-17-8-10(14-15-17)11(18)13-12/h2-3,6,8H,4-5,7,12H2,1H3,(H,13,18)
InChIKeyPSZNJWFHGKTYDP-UHFFFAOYSA-N
MW264.29 g/mol
LogP-0.39
Rot. Bonds6

About 1-[2-[furan-2-ylmethyl(methyl)amino]ethyl]triazole-4-carbohydrazide

1-[2-[furan-2-ylmethyl(methyl)amino]ethyl]triazole-4-carbohydrazide (PubChem CID 55214989) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-[2-[furan-2-ylmethyl(methyl)amino]ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-[furan-2-ylmethyl(methyl)amino]ethyl]triazole-4-carbohydrazide
PubChem CID55214989
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name1-[2-[furan-2-ylmethyl(methyl)amino]ethyl]triazole-4-carbohydrazide
SMILESCN(CCn1cc(C(=O)NN)nn1)Cc1ccco1
InChIInChI=1S/C11H16N6O2/c1-16(7-9-3-2-6-19-9)4-5-17-8-10(14-15-17)11(18)13-12/h2-3,6,8H,4-5,7,12H2,1H3,(H,13,18)
InChIKeyPSZNJWFHGKTYDP-UHFFFAOYSA-N
XLogP-0.39
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-0.39
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'}

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Related Compounds

1-[2-(furan-2-ylmethylsulfanyl)ethyl]triazole-4-carbohydrazide
CID 63581379
1-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]triazole-4-carbohydrazide
CID 63578074
1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]triazole-4-carbohydrazide
CID 79859256
1-[2-[2-cyanopropyl(methyl)amino]ethyl]triazole-4-carbohydrazide
CID 63583580
1-[2-[benzyl(ethyl)amino]ethyl]triazole-4-carbohydrazide
CID 63573811
1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazole-4-carbohydrazide
CID 63585470
1-[2-(4-methoxy-N-methylanilino)ethyl]triazole-4-carbohydrazide
CID 63584927
1-[2-(3-methoxy-N-methylanilino)ethyl]triazole-4-carbohydrazide
CID 63584328
1-[2-[propan-2-yl(propyl)amino]ethyl]triazole-4-carbohydrazide
CID 63574218
1-[2-[bis(cyanomethyl)amino]ethyl]triazole-4-carbohydrazide
CID 63569212
1-(2-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
1-[2-(N-ethyl-2-fluoroanilino)ethyl]triazole-4-carbohydrazide
CID 63583992

Frequently Asked Questions

What is the IUPAC name of 1-[2-[furan-2-ylmethyl(methyl)amino]ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-[furan-2-ylmethyl(methyl)amino]ethyl]triazole-4-carbohydrazide (CID 55214989) is 1-[2-[furan-2-ylmethyl(methyl)amino]ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-[furan-2-ylmethyl(methyl)amino]ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-[furan-2-ylmethyl(methyl)amino]ethyl]triazole-4-carbohydrazide is CN(CCn1cc(C(=O)NN)nn1)Cc1ccco1.
What is the InChIKey of 1-[2-[furan-2-ylmethyl(methyl)amino]ethyl]triazole-4-carbohydrazide?
The InChIKey is PSZNJWFHGKTYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-16(7-9-3-2-6-19-9)4-5-17-8-10(14-15-17)11(18)13-12/h2-3,6,8H,4-5,7,12H2,1H3,(H,13,18).
What are the key properties of 1-[2-[furan-2-ylmethyl(methyl)amino]ethyl]triazole-4-carbohydrazide?
1-[2-[furan-2-ylmethyl(methyl)amino]ethyl]triazole-4-carbohydrazide has a molecular weight of 264.29 g/mol, XLogP of -0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[furan-2-ylmethyl(methyl)amino]ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 55214989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).