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

C16H24N8 — CID 112958107

IUPACN-pentyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCCCCCNc1cnnc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C16H24N8/c1-2-3-4-6-17-14-13-20-22-16(21-14)24-11-9-23(10-12-24)15-18-7-5-8-19-15/h5,7-8,13H,2-4,6,9-12H2,1H3,(H,17,21,22)
InChIKeyUNQQLZSZXCHCDH-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.59
Rot. Bonds7

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

N-pentyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112958107) has the molecular formula C16H24N8 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-pentyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-pentyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112958107
Molecular FormulaC16H24N8
Molecular Weight328.42 g/mol
Exact Mass328.21
IUPAC NameN-pentyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCCCCCNc1cnnc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C16H24N8/c1-2-3-4-6-17-14-13-20-22-16(21-14)24-11-9-23(10-12-24)15-18-7-5-8-19-15/h5,7-8,13H,2-4,6,9-12H2,1H3,(H,17,21,22)
InChIKeyUNQQLZSZXCHCDH-UHFFFAOYSA-N
XLogP1.59
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112940719
N-(2,6-diethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112958134
N-[(4-methoxyphenyl)methyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112951053
N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898903
1-[4-[5-(propylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112938312
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-propyl-1,2,4-triazin-5-amine
CID 112938357
[2-methyl-6-(pentylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109373257
3-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-5-amine
CID 112938300
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
3-chloro-N-pentyl-1,2,4-triazin-5-amine
CID 114999369
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine
CID 112898256

Frequently Asked Questions

What is the IUPAC name of N-pentyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-pentyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine (CID 112958107) is N-pentyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-pentyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-pentyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine is CCCCCNc1cnnc(N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of N-pentyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is UNQQLZSZXCHCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N8/c1-2-3-4-6-17-14-13-20-22-16(21-14)24-11-9-23(10-12-24)15-18-7-5-8-19-15/h5,7-8,13H,2-4,6,9-12H2,1H3,(H,17,21,22).
What are the key properties of N-pentyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
N-pentyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 328.42 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112958107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).