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

C14H22N6O — CID 80844530

IUPACN-ethyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC(C)CC(C)C)nc(-n2cccn2)n1
InChIInChI=1S/C14H22N6O/c1-5-15-12-17-13(20-8-6-7-16-20)19-14(18-12)21-11(4)9-10(2)3/h6-8,10-11H,5,9H2,1-4H3,(H,15,17,18,19)
InChIKeyISQWIYKBHZVBLP-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.30
Rot. Bonds7

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

N-ethyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80844530) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-ethyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80844530
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC NameN-ethyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC(C)CC(C)C)nc(-n2cccn2)n1
InChIInChI=1S/C14H22N6O/c1-5-15-12-17-13(20-8-6-7-16-20)19-14(18-12)21-11(4)9-10(2)3/h6-8,10-11H,5,9H2,1-4H3,(H,15,17,18,19)
InChIKeyISQWIYKBHZVBLP-UHFFFAOYSA-N
XLogP2.30
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80859552
N-ethyl-4-(3-methylbutan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80882821
4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80860065
N-methyl-4-pentan-2-yloxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 102989434
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
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
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80844530) is N-ethyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CCNc1nc(OC(C)CC(C)C)nc(-n2cccn2)n1.
What is the InChIKey of N-ethyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is ISQWIYKBHZVBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-5-15-12-17-13(20-8-6-7-16-20)19-14(18-12)21-11(4)9-10(2)3/h6-8,10-11H,5,9H2,1-4H3,(H,15,17,18,19).
What are the key properties of N-ethyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
N-ethyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 290.37 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80844530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).