N-(1-benzylpyrrolidin-3-yl)-1,3,5-triazin-2-amine

C14H17N5 — CID 91779648

IUPACN-(1-benzylpyrrolidin-3-yl)-1,3,5-triazin-2-amine
SMILESc1ccc(CN2CCC(Nc3ncncn3)C2)cc1
InChIInChI=1S/C14H17N5/c1-2-4-12(5-3-1)8-19-7-6-13(9-19)18-14-16-10-15-11-17-14/h1-5,10-11,13H,6-9H2,(H,15,16,17,18)
InChIKeyNRDNBSPYHRNLDR-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.56
Rot. Bonds4

About N-(1-benzylpyrrolidin-3-yl)-1,3,5-triazin-2-amine

N-(1-benzylpyrrolidin-3-yl)-1,3,5-triazin-2-amine (PubChem CID 91779648) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-1,3,5-triazin-2-amine
PubChem CID91779648
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-1,3,5-triazin-2-amine
SMILESc1ccc(CN2CCC(Nc3ncncn3)C2)cc1
InChIInChI=1S/C14H17N5/c1-2-4-12(5-3-1)8-19-7-6-13(9-19)18-14-16-10-15-11-17-14/h1-5,10-11,13H,6-9H2,(H,15,16,17,18)
InChIKeyNRDNBSPYHRNLDR-UHFFFAOYSA-N
XLogP1.56
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-1,3,5-triazin-2-amine (CID 91779648) is N-(1-benzylpyrrolidin-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-1,3,5-triazin-2-amine is c1ccc(CN2CCC(Nc3ncncn3)C2)cc1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is NRDNBSPYHRNLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-2-4-12(5-3-1)8-19-7-6-13(9-19)18-14-16-10-15-11-17-14/h1-5,10-11,13H,6-9H2,(H,15,16,17,18).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-1,3,5-triazin-2-amine?
N-(1-benzylpyrrolidin-3-yl)-1,3,5-triazin-2-amine has a molecular weight of 255.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 91779648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).