N-ethyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C13H20N8 — CID 80749755

IUPACN-ethyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(N2CCN(C)CC2)nc(-n2cccn2)n1
InChIInChI=1S/C13H20N8/c1-3-14-11-16-12(20-9-7-19(2)8-10-20)18-13(17-11)21-6-4-5-15-21/h4-6H,3,7-10H2,1-2H3,(H,14,16,17,18)
InChIKeyJEQVMVORTYKZFD-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.24
Rot. Bonds4

About N-ethyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

N-ethyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80749755) has the molecular formula C13H20N8 and a molecular weight of 288.36 g/mol. Its IUPAC name is N-ethyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80749755
Molecular FormulaC13H20N8
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC NameN-ethyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(N2CCN(C)CC2)nc(-n2cccn2)n1
InChIInChI=1S/C13H20N8/c1-3-14-11-16-12(20-9-7-19(2)8-10-20)18-13(17-11)21-6-4-5-15-21/h4-6H,3,7-10H2,1-2H3,(H,14,16,17,18)
InChIKeyJEQVMVORTYKZFD-UHFFFAOYSA-N
XLogP0.24
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80749755) is N-ethyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CCNc1nc(N2CCN(C)CC2)nc(-n2cccn2)n1.
What is the InChIKey of N-ethyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is JEQVMVORTYKZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N8/c1-3-14-11-16-12(20-9-7-19(2)8-10-20)18-13(17-11)21-6-4-5-15-21/h4-6H,3,7-10H2,1-2H3,(H,14,16,17,18).
What are the key properties of N-ethyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
N-ethyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 288.36 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80749755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).