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

C15H22N8 — CID 112940719

IUPACN-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCCC(C)Nc1cnnc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C15H22N8/c1-3-12(2)19-13-11-18-21-15(20-13)23-9-7-22(8-10-23)14-16-5-4-6-17-14/h4-6,11-12H,3,7-10H2,1-2H3,(H,19,20,21)
InChIKeyKIIINWIBOYSWFX-UHFFFAOYSA-N
MW314.40 g/mol
LogP1.20
Rot. Bonds5

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

N-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112940719) has the molecular formula C15H22N8 and a molecular weight of 314.40 g/mol. Its IUPAC name is N-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112940719
Molecular FormulaC15H22N8
Molecular Weight314.40 g/mol
Exact Mass314.20
IUPAC NameN-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCCC(C)Nc1cnnc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C15H22N8/c1-3-12(2)19-13-11-18-21-15(20-13)23-9-7-22(8-10-23)14-16-5-4-6-17-14/h4-6,11-12H,3,7-10H2,1-2H3,(H,19,20,21)
InChIKeyKIIINWIBOYSWFX-UHFFFAOYSA-N
XLogP1.20
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine with MolForge

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Related Compounds

N-butan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112940718
N-pentyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112958107
N-(2,6-diethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112958134
N-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112940732
[6-(butan-2-ylamino)pyridazin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109111412
N-[(4-methoxyphenyl)methyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112951053
N-butan-2-yl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112940731
N-(2,3-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112958126
N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957940
N,N-dipropyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112958111
N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112883531
N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425688

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine (CID 112940719) is N-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine is CCC(C)Nc1cnnc(N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of N-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is KIIINWIBOYSWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8/c1-3-12(2)19-13-11-18-21-15(20-13)23-9-7-22(8-10-23)14-16-5-4-6-17-14/h4-6,11-12H,3,7-10H2,1-2H3,(H,19,20,21).
What are the key properties of N-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
N-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 314.40 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112940719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).