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

C9H18N8O — CID 80896911

IUPAC2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1nc(NN)nc(N(C)C)n1
InChIInChI=1S/C9H18N8O/c1-5(6(18)11-2)12-7-13-8(16-10)15-9(14-7)17(3)4/h5H,10H2,1-4H3,(H,11,18)(H2,12,13,14,15,16)
InChIKeyPPPSQHKQZNFLJS-UHFFFAOYSA-N
MW254.30 g/mol
LogP-1.23
Rot. Bonds5

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

2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide (PubChem CID 80896911) has the molecular formula C9H18N8O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
PubChem CID80896911
Molecular FormulaC9H18N8O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1nc(NN)nc(N(C)C)n1
InChIInChI=1S/C9H18N8O/c1-5(6(18)11-2)12-7-13-8(16-10)15-9(14-7)17(3)4/h5H,10H2,1-4H3,(H,11,18)(H2,12,13,14,15,16)
InChIKeyPPPSQHKQZNFLJS-UHFFFAOYSA-N
XLogP-1.23
TPSA121.09 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 80802978
2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 80897303
2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 135042322
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(6-methylheptan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80897844
3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163716
2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]acetamide
CID 80932664
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 80787461
2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 80901609
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80896860
N-ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]propanamide
CID 80897706
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methyl-2-propan-2-ylbutyl)-1,3,5-triazine-2,4-diamine
CID 102909000
2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
CID 80897980

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide?
The IUPAC name of 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide (CID 80896911) is 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide is CNC(=O)C(C)Nc1nc(NN)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide?
The InChIKey is PPPSQHKQZNFLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N8O/c1-5(6(18)11-2)12-7-13-8(16-10)15-9(14-7)17(3)4/h5H,10H2,1-4H3,(H,11,18)(H2,12,13,14,15,16).
What are the key properties of 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide?
2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide has a molecular weight of 254.30 g/mol, XLogP of -1.23, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide is sourced from PubChem (CID 80896911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).