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

C12H18N8 — CID 80767498

IUPACN-methyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(N2CCN(C)CC2)nc(-n2cccn2)n1
InChIInChI=1S/C12H18N8/c1-13-10-15-11(19-8-6-18(2)7-9-19)17-12(16-10)20-5-3-4-14-20/h3-5H,6-9H2,1-2H3,(H,13,15,16,17)
InChIKeyNFUDHQKCQLXKQU-UHFFFAOYSA-N
MW274.33 g/mol
LogP-0.15
Rot. Bonds3

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

N-methyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80767498) has the molecular formula C12H18N8 and a molecular weight of 274.33 g/mol. Its IUPAC name is N-methyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80767498
Molecular FormulaC12H18N8
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC NameN-methyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(N2CCN(C)CC2)nc(-n2cccn2)n1
InChIInChI=1S/C12H18N8/c1-13-10-15-11(19-8-6-18(2)7-9-19)17-12(16-10)20-5-3-4-14-20/h3-5H,6-9H2,1-2H3,(H,13,15,16,17)
InChIKeyNFUDHQKCQLXKQU-UHFFFAOYSA-N
XLogP-0.15
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-methyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol
CID 81109328
4-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperazin-2-one
CID 80764992
4-imidazol-1-yl-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80767496
[1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-3-yl]methanol
CID 80776039
4-N-methyl-2-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80765899
4-methoxy-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80767737
4-(2-ethylpiperidin-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80770964
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80853145
N-methyl-4-(1-methylpyrazol-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 103132169
4-N-methyl-2-N-(4-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80773650
4-N-methyl-6-pyrazol-1-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80772803
N-methyl-4-(2-methylthiophen-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 102838375

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80767498) is N-methyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CNc1nc(N2CCN(C)CC2)nc(-n2cccn2)n1.
What is the InChIKey of N-methyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is NFUDHQKCQLXKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8/c1-13-10-15-11(19-8-6-18(2)7-9-19)17-12(16-10)20-5-3-4-14-20/h3-5H,6-9H2,1-2H3,(H,13,15,16,17).
What are the key properties of N-methyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
N-methyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 274.33 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80767498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).