N,N-diethyl-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C11H21N7 — CID 80928465

IUPACN,N-diethyl-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(NN)nc(N2CCCC2)n1
InChIInChI=1S/C11H21N7/c1-3-17(4-2)10-13-9(16-12)14-11(15-10)18-7-5-6-8-18/h3-8,12H2,1-2H3,(H,13,14,15,16)
InChIKeyUJPTVALDGCZDKM-UHFFFAOYSA-N
MW251.34 g/mol
LogP0.60
Rot. Bonds5

About N,N-diethyl-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

N,N-diethyl-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80928465) has the molecular formula C11H21N7 and a molecular weight of 251.34 g/mol. Its IUPAC name is N,N-diethyl-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80928465
Molecular FormulaC11H21N7
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC NameN,N-diethyl-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(NN)nc(N2CCCC2)n1
InChIInChI=1S/C11H21N7/c1-3-17(4-2)10-13-9(16-12)14-11(15-10)18-7-5-6-8-18/h3-8,12H2,1-2H3,(H,13,14,15,16)
InChIKeyUJPTVALDGCZDKM-UHFFFAOYSA-N
XLogP0.60
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 N,N-diethyl-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N,N-diethyl-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80928465) is N,N-diethyl-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-diethyl-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-diethyl-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CCN(CC)c1nc(NN)nc(N2CCCC2)n1.
What is the InChIKey of N,N-diethyl-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is UJPTVALDGCZDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N7/c1-3-17(4-2)10-13-9(16-12)14-11(15-10)18-7-5-6-8-18/h3-8,12H2,1-2H3,(H,13,14,15,16).
What are the key properties of N,N-diethyl-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
N,N-diethyl-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 251.34 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80928465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).