2-N-ethyl-2-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine

C13H27N7O — CID 103192575

IUPAC2-N-ethyl-2-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(c1nc(NN)nc(OC(C)C)n1)C(C)CN(C)C
InChIInChI=1S/C13H27N7O/c1-7-20(10(4)8-19(5)6)12-15-11(18-14)16-13(17-12)21-9(2)3/h9-10H,7-8,14H2,1-6H3,(H,15,16,17,18)
InChIKeyRETXYPPMRLRGBO-UHFFFAOYSA-N
MW297.41 g/mol
LogP0.72
Rot. Bonds8

About 2-N-ethyl-2-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine

2-N-ethyl-2-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103192575) has the molecular formula C13H27N7O and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103192575
Molecular FormulaC13H27N7O
Molecular Weight297.41 g/mol
Exact Mass297.23
IUPAC Name2-N-ethyl-2-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(c1nc(NN)nc(OC(C)C)n1)C(C)CN(C)C
InChIInChI=1S/C13H27N7O/c1-7-20(10(4)8-19(5)6)12-15-11(18-14)16-13(17-12)21-9(2)3/h9-10H,7-8,14H2,1-6H3,(H,15,16,17,18)
InChIKeyRETXYPPMRLRGBO-UHFFFAOYSA-N
XLogP0.72
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-N-ethyl-2-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-butan-2-yl-N-ethyl-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80894423
4-hydrazinyl-N-propan-2-yl-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80895085
4-hydrazinyl-N-pentyl-N-propan-2-yl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80900261
4-hydrazinyl-N-methyl-N-(2-methylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80912872
4-hydrazinyl-N-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80907234
N',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 80932481
N,N-diethyl-4-hydrazinyl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
CID 80922713
4-butan-2-yloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80917408
N-cyclohexyl-4-hydrazinyl-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80927830
N-(cyclobutylmethyl)-4-hydrazinyl-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80918854
4-hydrazinyl-N,N-dimethyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine
CID 102989750
N',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)propane-1,3-diamine
CID 80938206

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 103192575) is 2-N-ethyl-2-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine is CCN(c1nc(NN)nc(OC(C)C)n1)C(C)CN(C)C.
What is the InChIKey of 2-N-ethyl-2-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is RETXYPPMRLRGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N7O/c1-7-20(10(4)8-19(5)6)12-15-11(18-14)16-13(17-12)21-9(2)3/h9-10H,7-8,14H2,1-6H3,(H,15,16,17,18).
What are the key properties of 2-N-ethyl-2-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-ethyl-2-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 297.41 g/mol, XLogP of 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103192575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).