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

C11H17N9O — CID 80900140

IUPAC3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1nc(NN)nc(-n2ccnc2)n1
InChIInChI=1S/C11H17N9O/c1-19(2)8(21)3-4-14-9-15-10(18-12)17-11(16-9)20-6-5-13-7-20/h5-7H,3-4,12H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyUPGHAIDPZWCEAJ-UHFFFAOYSA-N
MW291.32 g/mol
LogP-0.77
Rot. Bonds6

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

3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide (PubChem CID 80900140) has the molecular formula C11H17N9O and a molecular weight of 291.32 g/mol. Its IUPAC name is 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
PubChem CID80900140
Molecular FormulaC11H17N9O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1nc(NN)nc(-n2ccnc2)n1
InChIInChI=1S/C11H17N9O/c1-19(2)8(21)3-4-14-9-15-10(18-12)17-11(16-9)20-6-5-13-7-20/h5-7H,3-4,12H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyUPGHAIDPZWCEAJ-UHFFFAOYSA-N
XLogP-0.77
TPSA126.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
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,N-dimethylpropanamide?
The IUPAC name of 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide (CID 80900140) is 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide is CN(C)C(=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,N-dimethylpropanamide?
The InChIKey is UPGHAIDPZWCEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N9O/c1-19(2)8(21)3-4-14-9-15-10(18-12)17-11(16-9)20-6-5-13-7-20/h5-7H,3-4,12H2,1-2H3,(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,N-dimethylpropanamide?
3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 291.32 g/mol, XLogP of -0.77, 6 rotatable bonds, 3 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,N-dimethylpropanamide is sourced from PubChem (CID 80900140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).