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

C13H20N6O — CID 80882821

IUPACN-ethyl-4-(3-methylbutan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC(C)C(C)C)nc(-n2cccn2)n1
InChIInChI=1S/C13H20N6O/c1-5-14-11-16-12(19-8-6-7-15-19)18-13(17-11)20-10(4)9(2)3/h6-10H,5H2,1-4H3,(H,14,16,17,18)
InChIKeyUZIFJJGGDPAOSL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.91
Rot. Bonds6

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

N-ethyl-4-(3-methylbutan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80882821) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-ethyl-4-(3-methylbutan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-methylbutan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80882821
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC NameN-ethyl-4-(3-methylbutan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC(C)C(C)C)nc(-n2cccn2)n1
InChIInChI=1S/C13H20N6O/c1-5-14-11-16-12(19-8-6-7-15-19)18-13(17-11)20-10(4)9(2)3/h6-10H,5H2,1-4H3,(H,14,16,17,18)
InChIKeyUZIFJJGGDPAOSL-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

Analyze N-ethyl-4-(3-methylbutan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80844530
4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80865516
N-ethyl-4-(2-propoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80879870
1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80780224
4-[3-(dimethylamino)propoxy]-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80879429
N-methyl-4-pentan-2-yloxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 102989434
N-methyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80859552
2-N-butyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80785977
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
2-N-ethyl-4-N-methyl-4-N-(3-methylbutyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80780583
2-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanamide
CID 80787468

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methylbutan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-(3-methylbutan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80882821) is N-ethyl-4-(3-methylbutan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-(3-methylbutan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-(3-methylbutan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CCNc1nc(OC(C)C(C)C)nc(-n2cccn2)n1.
What is the InChIKey of N-ethyl-4-(3-methylbutan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is UZIFJJGGDPAOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-5-14-11-16-12(19-8-6-7-15-19)18-13(17-11)20-10(4)9(2)3/h6-10H,5H2,1-4H3,(H,14,16,17,18).
What are the key properties of N-ethyl-4-(3-methylbutan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
N-ethyl-4-(3-methylbutan-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-ethyl-4-(3-methylbutan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80882821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).