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

C13H18N6O — CID 106207686

IUPAC4-(2-cyclobutylethoxy)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(OCCC2CCC2)nc(-n2cccn2)n1
InChIInChI=1S/C13H18N6O/c1-14-11-16-12(19-8-3-7-15-19)18-13(17-11)20-9-6-10-4-2-5-10/h3,7-8,10H,2,4-6,9H2,1H3,(H,14,16,17,18)
InChIKeyDIILBLVWNJRJBT-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.67
Rot. Bonds6

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

4-(2-cyclobutylethoxy)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 106207686) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-(2-cyclobutylethoxy)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-cyclobutylethoxy)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID106207686
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name4-(2-cyclobutylethoxy)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(OCCC2CCC2)nc(-n2cccn2)n1
InChIInChI=1S/C13H18N6O/c1-14-11-16-12(19-8-3-7-15-19)18-13(17-11)20-9-6-10-4-2-5-10/h3,7-8,10H,2,4-6,9H2,1H3,(H,14,16,17,18)
InChIKeyDIILBLVWNJRJBT-UHFFFAOYSA-N
XLogP1.67
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

[4-(2-cyclopropylethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 106207854
N-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80853036
4-chloro-6-(2-cyclobutylethoxy)-N-methyl-1,3,5-triazin-2-amine
CID 106207656
6-(2-cyclobutylethoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 106207650
2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80782523
N-methyl-4-pyrazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80877549
4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80865516
[1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-3-yl]methanol
CID 80776039
N-methyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80859552
4-N-cyclopentyl-4-N-ethyl-2-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80775774
(4-cyclobutyloxy-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80930532
2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80784120

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylethoxy)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-cyclobutylethoxy)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 106207686) is 4-(2-cyclobutylethoxy)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-cyclobutylethoxy)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-cyclobutylethoxy)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CNc1nc(OCCC2CCC2)nc(-n2cccn2)n1.
What is the InChIKey of 4-(2-cyclobutylethoxy)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is DIILBLVWNJRJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-14-11-16-12(19-8-3-7-15-19)18-13(17-11)20-9-6-10-4-2-5-10/h3,7-8,10H,2,4-6,9H2,1H3,(H,14,16,17,18).
What are the key properties of 4-(2-cyclobutylethoxy)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-(2-cyclobutylethoxy)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 274.33 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylethoxy)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 106207686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).