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

C16H23N7 — CID 112940718

IUPACN-butan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCCC(C)Nc1cnnc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C16H23N7/c1-3-13(2)19-14-12-18-21-16(20-14)23-10-8-22(9-11-23)15-6-4-5-7-17-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,20,21)
InChIKeyWYIDRMZEJCMEMB-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.80
Rot. Bonds5

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

N-butan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112940718) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is N-butan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-butan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112940718
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC NameN-butan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCCC(C)Nc1cnnc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C16H23N7/c1-3-13(2)19-14-12-18-21-16(20-14)23-10-8-22(9-11-23)15-6-4-5-7-17-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,20,21)
InChIKeyWYIDRMZEJCMEMB-UHFFFAOYSA-N
XLogP1.80
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112940719
N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957940
N-(2-tert-butylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957970
N,N-diethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957935
N-(2,4-dimethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957955
3-(4-methylpiperidin-1-yl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazine
CID 112942806
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112951329
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112942990
N-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112940732
N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957952
N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 62423144
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine
CID 55024348

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-butan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine (CID 112940718) is N-butan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-butan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-butan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine is CCC(C)Nc1cnnc(N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of N-butan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is WYIDRMZEJCMEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c1-3-13(2)19-14-12-18-21-16(20-14)23-10-8-22(9-11-23)15-6-4-5-7-17-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,20,21).
What are the key properties of N-butan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
N-butan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 313.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112940718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).