3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide

C9H13N9O — CID 80906494

IUPAC3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide
SMILESNNc1nc(NCCC(N)=O)nc(-n2ccnc2)n1
InChIInChI=1S/C9H13N9O/c10-6(19)1-2-13-7-14-8(17-11)16-9(15-7)18-4-3-12-5-18/h3-5H,1-2,11H2,(H2,10,19)(H2,13,14,15,16,17)
InChIKeyJLGGERLAFDWGBK-UHFFFAOYSA-N
MW263.26 g/mol
LogP-1.37
Rot. Bonds6

About 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide

3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide (PubChem CID 80906494) has the molecular formula C9H13N9O and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide
PubChem CID80906494
Molecular FormulaC9H13N9O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide
SMILESNNc1nc(NCCC(N)=O)nc(-n2ccnc2)n1
InChIInChI=1S/C9H13N9O/c10-6(19)1-2-13-7-14-8(17-11)16-9(15-7)18-4-3-12-5-18/h3-5H,1-2,11H2,(H2,10,19)(H2,13,14,15,16,17)
InChIKeyJLGGERLAFDWGBK-UHFFFAOYSA-N
XLogP-1.37
TPSA149.66 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'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 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide?
The IUPAC name of 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide (CID 80906494) is 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide.
What is the SMILES notation for 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide?
The canonical SMILES for 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide is NNc1nc(NCCC(N)=O)nc(-n2ccnc2)n1.
What is the InChIKey of 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide?
The InChIKey is JLGGERLAFDWGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N9O/c10-6(19)1-2-13-7-14-8(17-11)16-9(15-7)18-4-3-12-5-18/h3-5H,1-2,11H2,(H2,10,19)(H2,13,14,15,16,17).
What are the key properties of 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide?
3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide has a molecular weight of 263.26 g/mol, XLogP of -1.37, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide is sourced from PubChem (CID 80906494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).