6-hydrazinyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridazine-3-carboxamide

C10H14N8O — CID 64524982

IUPAC6-hydrazinyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridazine-3-carboxamide
SMILESNNc1ccc(C(=O)NCCCc2ncn[nH]2)nn1
InChIInChI=1S/C10H14N8O/c11-15-9-4-3-7(16-18-9)10(19)12-5-1-2-8-13-6-14-17-8/h3-4,6H,1-2,5,11H2,(H,12,19)(H,15,18)(H,13,14,17)
InChIKeyTZZICIIZTDIFAQ-UHFFFAOYSA-N
MW262.28 g/mol
LogP-0.76
Rot. Bonds6

About 6-hydrazinyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridazine-3-carboxamide

6-hydrazinyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridazine-3-carboxamide (PubChem CID 64524982) has the molecular formula C10H14N8O and a molecular weight of 262.28 g/mol. Its IUPAC name is 6-hydrazinyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-hydrazinyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridazine-3-carboxamide
PubChem CID64524982
Molecular FormulaC10H14N8O
Molecular Weight262.28 g/mol
Exact Mass262.13
IUPAC Name6-hydrazinyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridazine-3-carboxamide
SMILESNNc1ccc(C(=O)NCCCc2ncn[nH]2)nn1
InChIInChI=1S/C10H14N8O/c11-15-9-4-3-7(16-18-9)10(19)12-5-1-2-8-13-6-14-17-8/h3-4,6H,1-2,5,11H2,(H,12,19)(H,15,18)(H,13,14,17)
InChIKeyTZZICIIZTDIFAQ-UHFFFAOYSA-N
XLogP-0.76
TPSA134.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 6-hydrazinyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridazine-3-carboxamide?
The IUPAC name of 6-hydrazinyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridazine-3-carboxamide (CID 64524982) is 6-hydrazinyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-hydrazinyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-hydrazinyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridazine-3-carboxamide is NNc1ccc(C(=O)NCCCc2ncn[nH]2)nn1.
What is the InChIKey of 6-hydrazinyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridazine-3-carboxamide?
The InChIKey is TZZICIIZTDIFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N8O/c11-15-9-4-3-7(16-18-9)10(19)12-5-1-2-8-13-6-14-17-8/h3-4,6H,1-2,5,11H2,(H,12,19)(H,15,18)(H,13,14,17).
What are the key properties of 6-hydrazinyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridazine-3-carboxamide?
6-hydrazinyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridazine-3-carboxamide has a molecular weight of 262.28 g/mol, XLogP of -0.76, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridazine-3-carboxamide is sourced from PubChem (CID 64524982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).