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

C17H19N9 — CID 112952345

IUPACN-(pyridin-3-ylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESc1cnc(N2CCN(c3cnnc(NCc4cccnc4)n3)CC2)nc1
InChIInChI=1S/C17H19N9/c1-3-14(11-18-4-1)12-21-16-23-15(13-22-24-16)25-7-9-26(10-8-25)17-19-5-2-6-20-17/h1-6,11,13H,7-10,12H2,(H,21,23,24)
InChIKeyYLVQBUGMMKDZJG-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.00
Rot. Bonds5

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

N-(pyridin-3-ylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112952345) has the molecular formula C17H19N9 and a molecular weight of 349.40 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112952345
Molecular FormulaC17H19N9
Molecular Weight349.40 g/mol
Exact Mass349.18
IUPAC NameN-(pyridin-3-ylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESc1cnc(N2CCN(c3cnnc(NCc4cccnc4)n3)CC2)nc1
InChIInChI=1S/C17H19N9/c1-3-14(11-18-4-1)12-21-16-23-15(13-22-24-16)25-7-9-26(10-8-25)17-19-5-2-6-20-17/h1-6,11,13H,7-10,12H2,(H,21,23,24)
InChIKeyYLVQBUGMMKDZJG-UHFFFAOYSA-N
XLogP1.00
TPSA95.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112950060
5-(4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine
CID 112942587
N-(2-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112952966
N-[(2-fluorophenyl)methyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112949737
N-(pyridin-3-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112860746
5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
CID 112952675
N-(2-ethylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112958044
4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 112886382
N-(3-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112958087
N-[2-(cyclohexen-1-yl)ethyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112943170
[2-methyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109370979
N-(3,4-dimethoxyphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112958078

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine (CID 112952345) is N-(pyridin-3-ylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine is c1cnc(N2CCN(c3cnnc(NCc4cccnc4)n3)CC2)nc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is YLVQBUGMMKDZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N9/c1-3-14(11-18-4-1)12-21-16-23-15(13-22-24-16)25-7-9-26(10-8-25)17-19-5-2-6-20-17/h1-6,11,13H,7-10,12H2,(H,21,23,24).
What are the key properties of N-(pyridin-3-ylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine?
N-(pyridin-3-ylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 349.40 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112952345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).