4-hydrazinyl-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine

C13H19N7S — CID 80898197

IUPAC4-hydrazinyl-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine
SMILESCC(Nc1nc(NN)nc(N2CCCC2)n1)c1cccs1
InChIInChI=1S/C13H19N7S/c1-9(10-5-4-8-21-10)15-11-16-12(19-14)18-13(17-11)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7,14H2,1H3,(H2,15,16,17,18,19)
InChIKeyZRMIFMIGVRZMOP-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.99
Rot. Bonds5

About 4-hydrazinyl-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine

4-hydrazinyl-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine (PubChem CID 80898197) has the molecular formula C13H19N7S and a molecular weight of 305.41 g/mol. Its IUPAC name is 4-hydrazinyl-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine
PubChem CID80898197
Molecular FormulaC13H19N7S
Molecular Weight305.41 g/mol
Exact Mass305.14
IUPAC Name4-hydrazinyl-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine
SMILESCC(Nc1nc(NN)nc(N2CCCC2)n1)c1cccs1
InChIInChI=1S/C13H19N7S/c1-9(10-5-4-8-21-10)15-11-16-12(19-14)18-13(17-11)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7,14H2,1H3,(H2,15,16,17,18,19)
InChIKeyZRMIFMIGVRZMOP-UHFFFAOYSA-N
XLogP1.99
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.99
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine (CID 80898197) is 4-hydrazinyl-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine is CC(Nc1nc(NN)nc(N2CCCC2)n1)c1cccs1.
What is the InChIKey of 4-hydrazinyl-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine?
The InChIKey is ZRMIFMIGVRZMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7S/c1-9(10-5-4-8-21-10)15-11-16-12(19-14)18-13(17-11)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7,14H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 4-hydrazinyl-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine?
4-hydrazinyl-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine has a molecular weight of 305.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80898197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).