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

C9H17N7O2 — CID 80903565

IUPAC3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
SMILESCCOc1nc(NN)nc(NCCC(=O)NC)n1
InChIInChI=1S/C9H17N7O2/c1-3-18-9-14-7(13-8(15-9)16-10)12-5-4-6(17)11-2/h3-5,10H2,1-2H3,(H,11,17)(H2,12,13,14,15,16)
InChIKeyQSBPYQAUCFPQQG-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.90
Rot. Bonds7

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

3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide (PubChem CID 80903565) has the molecular formula C9H17N7O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
PubChem CID80903565
Molecular FormulaC9H17N7O2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
SMILESCCOc1nc(NN)nc(NCCC(=O)NC)n1
InChIInChI=1S/C9H17N7O2/c1-3-18-9-14-7(13-8(15-9)16-10)12-5-4-6(17)11-2/h3-5,10H2,1-2H3,(H,11,17)(H2,12,13,14,15,16)
InChIKeyQSBPYQAUCFPQQG-UHFFFAOYSA-N
XLogP-0.90
TPSA127.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.90
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

3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 62858233
2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]acetamide
CID 80932009
5-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107324376
4-ethoxy-6-hydrazinyl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 80913771
ethyl 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanoate
CID 62858556
N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80943903
N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80898695
4-ethoxy-6-hydrazinyl-N-(3-propoxypropyl)-1,3,5-triazin-2-amine
CID 82947451
N-(2,2-dimethylbutyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 103466753
6-[[4-(5-carboxypentylamino)-6-ethoxy-1,3,5-triazin-2-yl]amino]hexanoic acid
CID 19427575
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
4-ethoxy-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 114944805

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
The IUPAC name of 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide (CID 80903565) is 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide is CCOc1nc(NN)nc(NCCC(=O)NC)n1.
What is the InChIKey of 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
The InChIKey is QSBPYQAUCFPQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N7O2/c1-3-18-9-14-7(13-8(15-9)16-10)12-5-4-6(17)11-2/h3-5,10H2,1-2H3,(H,11,17)(H2,12,13,14,15,16).
What are the key properties of 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide has a molecular weight of 255.28 g/mol, XLogP of -0.90, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 80903565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).