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

C12H18N6O — CID 80860065

IUPAC4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCC(C)CC(C)Oc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C12H18N6O/c1-8(2)7-9(3)19-12-16-10(13)15-11(17-12)18-6-4-5-14-18/h4-6,8-9H,7H2,1-3H3,(H2,13,15,16,17)
InChIKeyKDLKOLMAOCZJRF-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.45
Rot. Bonds5

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

4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80860065) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80860065
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCC(C)CC(C)Oc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C12H18N6O/c1-8(2)7-9(3)19-12-16-10(13)15-11(17-12)18-6-4-5-14-18/h4-6,8-9H,7H2,1-3H3,(H2,13,15,16,17)
InChIKeyKDLKOLMAOCZJRF-UHFFFAOYSA-N
XLogP1.45
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.45
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-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80844530
4-N-(2-methylpropyl)-4-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80820815
4-(3-methoxypropoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80865388
4-heptoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80862326
4-N-butan-2-yl-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80775574
2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]propan-1-ol
CID 104556974
4-(2-butoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80861779
N-methyl-4-pentan-2-yloxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 102989434
3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]butanenitrile
CID 80827821
4-(5-fluoro-2-methylphenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 102988931
4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 112667910

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80860065) is 4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CC(C)CC(C)Oc1nc(N)nc(-n2cccn2)n1.
What is the InChIKey of 4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is KDLKOLMAOCZJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-8(2)7-9(3)19-12-16-10(13)15-11(17-12)18-6-4-5-14-18/h4-6,8-9H,7H2,1-3H3,(H2,13,15,16,17).
What are the key properties of 4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 262.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80860065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).