N-(2-phenylethyl)-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine

C15H19N5 — CID 112941265

IUPACN-(2-phenylethyl)-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine
SMILESc1ccc(CCNc2cnnc(N3CCCC3)n2)cc1
InChIInChI=1S/C15H19N5/c1-2-6-13(7-3-1)8-9-16-14-12-17-19-15(18-14)20-10-4-5-11-20/h1-3,6-7,12H,4-5,8-11H2,(H,16,18,19)
InChIKeyDRYJPRMSFNMODT-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.13
Rot. Bonds5

About N-(2-phenylethyl)-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine

N-(2-phenylethyl)-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine (PubChem CID 112941265) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(2-phenylethyl)-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine
PubChem CID112941265
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC NameN-(2-phenylethyl)-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine
SMILESc1ccc(CCNc2cnnc(N3CCCC3)n2)cc1
InChIInChI=1S/C15H19N5/c1-2-6-13(7-3-1)8-9-16-14-12-17-19-15(18-14)20-10-4-5-11-20/h1-3,6-7,12H,4-5,8-11H2,(H,16,18,19)
InChIKeyDRYJPRMSFNMODT-UHFFFAOYSA-N
XLogP2.13
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)-1,2,4-triazin-5-amine
CID 112952831
4-[2-[[3-(azepan-1-yl)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide
CID 112955931
N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112954337
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine
CID 112941280
3-N,5-N-bis(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952784
5-(azepan-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine
CID 112952983
N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112941997
N-(3-methylbutyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942066
3-(azepan-1-yl)-N-[(3-methylphenyl)methyl]-1,2,4-triazin-5-amine
CID 112948261
3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
CID 112955377
3-piperidin-1-yl-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine
CID 112942024
N-[3-(4-benzylpiperazin-1-yl)-1,2,4-triazin-5-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112945449

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-(2-phenylethyl)-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine (CID 112941265) is N-(2-phenylethyl)-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(2-phenylethyl)-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-(2-phenylethyl)-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine is c1ccc(CCNc2cnnc(N3CCCC3)n2)cc1.
What is the InChIKey of N-(2-phenylethyl)-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine?
The InChIKey is DRYJPRMSFNMODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-2-6-13(7-3-1)8-9-16-14-12-17-19-15(18-14)20-10-4-5-11-20/h1-3,6-7,12H,4-5,8-11H2,(H,16,18,19).
What are the key properties of N-(2-phenylethyl)-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine?
N-(2-phenylethyl)-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine has a molecular weight of 269.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 112941265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).