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

C22H27N7 — CID 112957970

IUPACN-(2-tert-butylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCC(C)(C)c1ccccc1Nc1cnnc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C22H27N7/c1-22(2,3)17-8-4-5-9-18(17)25-19-16-24-27-21(26-19)29-14-12-28(13-15-29)20-10-6-7-11-23-20/h4-11,16H,12-15H2,1-3H3,(H,25,26,27)
InChIKeyORUJLZOHZGDMGZ-UHFFFAOYSA-N
MW389.51 g/mol
LogP3.63
Rot. Bonds4

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

N-(2-tert-butylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112957970) has the molecular formula C22H27N7 and a molecular weight of 389.51 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112957970
Molecular FormulaC22H27N7
Molecular Weight389.51 g/mol
Exact Mass389.23
IUPAC NameN-(2-tert-butylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCC(C)(C)c1ccccc1Nc1cnnc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C22H27N7/c1-22(2,3)17-8-4-5-9-18(17)25-19-16-24-27-21(26-19)29-14-12-28(13-15-29)20-10-6-7-11-23-20/h4-11,16H,12-15H2,1-3H3,(H,25,26,27)
InChIKeyORUJLZOHZGDMGZ-UHFFFAOYSA-N
XLogP3.63
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-(2,4-dimethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957955
N-butan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112940718
N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957940
N-(2-tert-butylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884073
N-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108990373
N-(2,3-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112958126
N-(2-tert-butylphenyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884701
1-[4-[5-(quinolin-8-ylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947143
3-(4-methylpiperidin-1-yl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazine
CID 112942806
N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946094
N-(2-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112898840
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112951329

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-(2-tert-butylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine (CID 112957970) is N-(2-tert-butylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(2-tert-butylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-(2-tert-butylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine is CC(C)(C)c1ccccc1Nc1cnnc(N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of N-(2-tert-butylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is ORUJLZOHZGDMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7/c1-22(2,3)17-8-4-5-9-18(17)25-19-16-24-27-21(26-19)29-14-12-28(13-15-29)20-10-6-7-11-23-20/h4-11,16H,12-15H2,1-3H3,(H,25,26,27).
What are the key properties of N-(2-tert-butylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
N-(2-tert-butylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 389.51 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112957970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).