N,N-dipropyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine

C17H26N8 — CID 112958111

IUPACN,N-dipropyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCCCN(CCC)c1cnnc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C17H26N8/c1-3-8-23(9-4-2)15-14-20-22-17(21-15)25-12-10-24(11-13-25)16-18-6-5-7-19-16/h5-7,14H,3-4,8-13H2,1-2H3
InChIKeyRHFBWTHEHYWBMV-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.61
Rot. Bonds7

About N,N-dipropyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine

N,N-dipropyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112958111) has the molecular formula C17H26N8 and a molecular weight of 342.45 g/mol. Its IUPAC name is N,N-dipropyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN,N-dipropyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112958111
Molecular FormulaC17H26N8
Molecular Weight342.45 g/mol
Exact Mass342.23
IUPAC NameN,N-dipropyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCCCN(CCC)c1cnnc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C17H26N8/c1-3-8-23(9-4-2)15-14-20-22-17(21-15)25-12-10-24(11-13-25)16-18-6-5-7-19-16/h5-7,14H,3-4,8-13H2,1-2H3
InChIKeyRHFBWTHEHYWBMV-UHFFFAOYSA-N
XLogP1.61
TPSA74.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-diethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957935
1-[4-[5-(diethylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947046
N-pentyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112958107
N-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112940719
N,N-diethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957626
N-butyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955533
N,N-diethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112955669
5-(2-ethylpiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazine
CID 112958109
[2-(dipropylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109310660
N-(2,6-diethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112958134
4-[5-[benzyl(ethyl)amino]-1,2,4-triazin-3-yl]piperazine-1-carbaldehyde
CID 112946672
4-[5-[butyl(methyl)amino]-1,2,4-triazin-3-yl]piperazine-1-carbaldehyde
CID 112946716

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N,N-dipropyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine (CID 112958111) is N,N-dipropyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N,N-dipropyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N,N-dipropyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine is CCCN(CCC)c1cnnc(N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of N,N-dipropyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is RHFBWTHEHYWBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N8/c1-3-8-23(9-4-2)15-14-20-22-17(21-15)25-12-10-24(11-13-25)16-18-6-5-7-19-16/h5-7,14H,3-4,8-13H2,1-2H3.
What are the key properties of N,N-dipropyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
N,N-dipropyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 342.45 g/mol, XLogP of 1.61, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112958111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).