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

C13H17N7 — CID 802553

IUPAC4-hydrazinyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESNNc1nc(Nc2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C13H17N7/c14-19-12-16-11(15-10-6-2-1-3-7-10)17-13(18-12)20-8-4-5-9-20/h1-3,6-7H,4-5,8-9,14H2,(H2,15,16,17,18,19)
InChIKeyJZCPSFLVZJNMOV-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.50
Rot. Bonds4

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

4-hydrazinyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 802553) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is 4-hydrazinyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID802553
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name4-hydrazinyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESNNc1nc(Nc2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C13H17N7/c14-19-12-16-11(15-10-6-2-1-3-7-10)17-13(18-12)20-8-4-5-9-20/h1-3,6-7H,4-5,8-9,14H2,(H2,15,16,17,18,19)
InChIKeyJZCPSFLVZJNMOV-UHFFFAOYSA-N
XLogP1.50
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.50
H-Bond Donors ≤ 53
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 4-hydrazinyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 802553) is 4-hydrazinyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is NNc1nc(Nc2ccccc2)nc(N2CCCC2)n1.
What is the InChIKey of 4-hydrazinyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is JZCPSFLVZJNMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c14-19-12-16-11(15-10-6-2-1-3-7-10)17-13(18-12)20-8-4-5-9-20/h1-3,6-7H,4-5,8-9,14H2,(H2,15,16,17,18,19).
What are the key properties of 4-hydrazinyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-hydrazinyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 271.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 802553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).