1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methylpyrrolidine-2-carboxamide

C11H19N7O2 — CID 63578946

IUPAC1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1CCn1cc(C(=O)NN)nn1
InChIInChI=1S/C11H19N7O2/c1-13-11(20)9-3-2-4-17(9)5-6-18-7-8(15-16-18)10(19)14-12/h7,9H,2-6,12H2,1H3,(H,13,20)(H,14,19)
InChIKeyLLANGCZVYDJVME-UHFFFAOYSA-N
MW281.32 g/mol
LogP-1.91
Rot. Bonds5

About 1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methylpyrrolidine-2-carboxamide

1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 63578946) has the molecular formula C11H19N7O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID63578946
Molecular FormulaC11H19N7O2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1CCn1cc(C(=O)NN)nn1
InChIInChI=1S/C11H19N7O2/c1-13-11(20)9-3-2-4-17(9)5-6-18-7-8(15-16-18)10(19)14-12/h7,9H,2-6,12H2,1H3,(H,13,20)(H,14,19)
InChIKeyLLANGCZVYDJVME-UHFFFAOYSA-N
XLogP-1.91
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methylpyrrolidine-2-carboxamide (CID 63578946) is 1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1CCn1cc(C(=O)NN)nn1.
What is the InChIKey of 1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is LLANGCZVYDJVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7O2/c1-13-11(20)9-3-2-4-17(9)5-6-18-7-8(15-16-18)10(19)14-12/h7,9H,2-6,12H2,1H3,(H,13,20)(H,14,19).
What are the key properties of 1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methylpyrrolidine-2-carboxamide?
1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of -1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 63578946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).