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

C13H20N6O — CID 80859552

IUPACN-methyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)CC(C)C)nc(-n2cccn2)n1
InChIInChI=1S/C13H20N6O/c1-9(2)8-10(3)20-13-17-11(14-4)16-12(18-13)19-7-5-6-15-19/h5-7,9-10H,8H2,1-4H3,(H,14,16,17,18)
InChIKeyUGCAICNOVCRPMF-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.91
Rot. Bonds6

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

N-methyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80859552) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-methyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80859552
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC NameN-methyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)CC(C)C)nc(-n2cccn2)n1
InChIInChI=1S/C13H20N6O/c1-9(2)8-10(3)20-13-17-11(14-4)16-12(18-13)19-7-5-6-15-19/h5-7,9-10H,8H2,1-4H3,(H,14,16,17,18)
InChIKeyUGCAICNOVCRPMF-UHFFFAOYSA-N
XLogP1.91
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80844530
N-methyl-4-pentan-2-yloxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 102989434
4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80860065
N-methyl-4-pyrazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80877549
N-methyl-4-(4-methylpentan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80844224
N-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80853036
2-N,4-N-dimethyl-4-N-(2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80776677
4-N-methyl-2-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80765899
N-ethyl-4-(3-methylbutan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80882821
N-methyl-4-(2-methylpropylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80892844
2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779408
4-(2-cyclobutylethoxy)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 106207686

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80859552) is N-methyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CNc1nc(OC(C)CC(C)C)nc(-n2cccn2)n1.
What is the InChIKey of N-methyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is UGCAICNOVCRPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-9(2)8-10(3)20-13-17-11(14-4)16-12(18-13)19-7-5-6-15-19/h5-7,9-10H,8H2,1-4H3,(H,14,16,17,18).
What are the key properties of N-methyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
N-methyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 276.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80859552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).