2-[4-(2-aminoethyl)triazol-1-yl]-N'-pyridin-2-ylacetohydrazide

C11H15N7O — CID 116642304

IUPAC2-[4-(2-aminoethyl)triazol-1-yl]-N'-pyridin-2-ylacetohydrazide
SMILESNCCc1cn(CC(=O)NNc2ccccn2)nn1
InChIInChI=1S/C11H15N7O/c12-5-4-9-7-18(17-14-9)8-11(19)16-15-10-3-1-2-6-13-10/h1-3,6-7H,4-5,8,12H2,(H,13,15)(H,16,19)
InChIKeyKJLNAJRZGFNSSO-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.68
Rot. Bonds6

About 2-[4-(2-aminoethyl)triazol-1-yl]-N'-pyridin-2-ylacetohydrazide

2-[4-(2-aminoethyl)triazol-1-yl]-N'-pyridin-2-ylacetohydrazide (PubChem CID 116642304) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)triazol-1-yl]-N'-pyridin-2-ylacetohydrazide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)triazol-1-yl]-N'-pyridin-2-ylacetohydrazide
PubChem CID116642304
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-[4-(2-aminoethyl)triazol-1-yl]-N'-pyridin-2-ylacetohydrazide
SMILESNCCc1cn(CC(=O)NNc2ccccn2)nn1
InChIInChI=1S/C11H15N7O/c12-5-4-9-7-18(17-14-9)8-11(19)16-15-10-3-1-2-6-13-10/h1-3,6-7H,4-5,8,12H2,(H,13,15)(H,16,19)
InChIKeyKJLNAJRZGFNSSO-UHFFFAOYSA-N
XLogP-0.68
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)triazol-1-yl]-N'-pyridin-2-ylacetohydrazide?
The IUPAC name of 2-[4-(2-aminoethyl)triazol-1-yl]-N'-pyridin-2-ylacetohydrazide (CID 116642304) is 2-[4-(2-aminoethyl)triazol-1-yl]-N'-pyridin-2-ylacetohydrazide.
What is the SMILES notation for 2-[4-(2-aminoethyl)triazol-1-yl]-N'-pyridin-2-ylacetohydrazide?
The canonical SMILES for 2-[4-(2-aminoethyl)triazol-1-yl]-N'-pyridin-2-ylacetohydrazide is NCCc1cn(CC(=O)NNc2ccccn2)nn1.
What is the InChIKey of 2-[4-(2-aminoethyl)triazol-1-yl]-N'-pyridin-2-ylacetohydrazide?
The InChIKey is KJLNAJRZGFNSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c12-5-4-9-7-18(17-14-9)8-11(19)16-15-10-3-1-2-6-13-10/h1-3,6-7H,4-5,8,12H2,(H,13,15)(H,16,19).
What are the key properties of 2-[4-(2-aminoethyl)triazol-1-yl]-N'-pyridin-2-ylacetohydrazide?
2-[4-(2-aminoethyl)triazol-1-yl]-N'-pyridin-2-ylacetohydrazide has a molecular weight of 261.29 g/mol, XLogP of -0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)triazol-1-yl]-N'-pyridin-2-ylacetohydrazide is sourced from PubChem (CID 116642304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).