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

C10H15N9O — CID 80903874

IUPAC3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1nc(NN)nc(-n2ccnc2)n1
InChIInChI=1S/C10H15N9O/c1-12-7(20)2-3-14-8-15-9(18-11)17-10(16-8)19-5-4-13-6-19/h4-6H,2-3,11H2,1H3,(H,12,20)(H2,14,15,16,17,18)
InChIKeyYZVJJQIEFHEOCY-UHFFFAOYSA-N
MW277.29 g/mol
LogP-1.11
Rot. Bonds6

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

3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide (PubChem CID 80903874) has the molecular formula C10H15N9O and a molecular weight of 277.29 g/mol. Its IUPAC name is 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
PubChem CID80903874
Molecular FormulaC10H15N9O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1nc(NN)nc(-n2ccnc2)n1
InChIInChI=1S/C10H15N9O/c1-12-7(20)2-3-14-8-15-9(18-11)17-10(16-8)19-5-4-13-6-19/h4-6H,2-3,11H2,1H3,(H,12,20)(H2,14,15,16,17,18)
InChIKeyYZVJJQIEFHEOCY-UHFFFAOYSA-N
XLogP-1.11
TPSA135.67 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 5-1.11
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]-N-methylpropanamide?
The IUPAC name of 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide (CID 80903874) is 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide is CNC(=O)CCNc1nc(NN)nc(-n2ccnc2)n1.
What is the InChIKey of 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
The InChIKey is YZVJJQIEFHEOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N9O/c1-12-7(20)2-3-14-8-15-9(18-11)17-10(16-8)19-5-4-13-6-19/h4-6H,2-3,11H2,1H3,(H,12,20)(H2,14,15,16,17,18).
What are the key properties of 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide has a molecular weight of 277.29 g/mol, XLogP of -1.11, 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]-N-methylpropanamide is sourced from PubChem (CID 80903874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).