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

C11H13F3N6O — CID 82963150

IUPACN-ethyl-4-pyrazol-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCCC(F)(F)F)nc(-n2cccn2)n1
InChIInChI=1S/C11H13F3N6O/c1-2-15-8-17-9(20-6-3-5-16-20)19-10(18-8)21-7-4-11(12,13)14/h3,5-6H,2,4,7H2,1H3,(H,15,17,18,19)
InChIKeyNLOGFWQTULFWFU-UHFFFAOYSA-N
MW302.26 g/mol
LogP1.82
Rot. Bonds6

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

N-ethyl-4-pyrazol-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine (PubChem CID 82963150) has the molecular formula C11H13F3N6O and a molecular weight of 302.26 g/mol. Its IUPAC name is N-ethyl-4-pyrazol-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-pyrazol-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine
PubChem CID82963150
Molecular FormulaC11H13F3N6O
Molecular Weight302.26 g/mol
Exact Mass302.11
IUPAC NameN-ethyl-4-pyrazol-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCCC(F)(F)F)nc(-n2cccn2)n1
InChIInChI=1S/C11H13F3N6O/c1-2-15-8-17-9(20-6-3-5-16-20)19-10(18-8)21-7-4-11(12,13)14/h3,5-6H,2,4,7H2,1H3,(H,15,17,18,19)
InChIKeyNLOGFWQTULFWFU-UHFFFAOYSA-N
XLogP1.82
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-pyrazol-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-pyrazol-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine (CID 82963150) is N-ethyl-4-pyrazol-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-pyrazol-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-pyrazol-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine is CCNc1nc(OCCC(F)(F)F)nc(-n2cccn2)n1.
What is the InChIKey of N-ethyl-4-pyrazol-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine?
The InChIKey is NLOGFWQTULFWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6O/c1-2-15-8-17-9(20-6-3-5-16-20)19-10(18-8)21-7-4-11(12,13)14/h3,5-6H,2,4,7H2,1H3,(H,15,17,18,19).
What are the key properties of N-ethyl-4-pyrazol-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine?
N-ethyl-4-pyrazol-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine has a molecular weight of 302.26 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-pyrazol-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 82963150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).