N-[(1R)-1-cyclopropylethyl]-4-(3-cyclopropylidenebutyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine

C19H23F3N6 — CID 146258737

IUPACN-[(1R)-1-cyclopropylethyl]-4-(3-cyclopropylidenebutyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine
SMILESCC(CCc1nc(N[C@H](C)C2CC2)nc(-n2ccc(C(F)(F)F)n2)n1)=C1CC1
InChIInChI=1S/C19H23F3N6/c1-11(13-4-5-13)3-8-16-24-17(23-12(2)14-6-7-14)26-18(25-16)28-10-9-15(27-28)19(20,21)22/h9-10,12,14H,3-8H2,1-2H3,(H,23,24,25,26)/t12-/m1/s1
InChIKeyFBPADSBYGWGZDD-GFCCVEGCSA-N
MW392.43 g/mol
LogP4.33
Rot. Bonds7

About N-[(1R)-1-cyclopropylethyl]-4-(3-cyclopropylidenebutyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine

N-[(1R)-1-cyclopropylethyl]-4-(3-cyclopropylidenebutyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine (PubChem CID 146258737) has the molecular formula C19H23F3N6 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-4-(3-cyclopropylidenebutyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-4-(3-cyclopropylidenebutyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine
PubChem CID146258737
Molecular FormulaC19H23F3N6
Molecular Weight392.43 g/mol
Exact Mass392.19
IUPAC NameN-[(1R)-1-cyclopropylethyl]-4-(3-cyclopropylidenebutyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine
SMILESCC(CCc1nc(N[C@H](C)C2CC2)nc(-n2ccc(C(F)(F)F)n2)n1)=C1CC1
InChIInChI=1S/C19H23F3N6/c1-11(13-4-5-13)3-8-16-24-17(23-12(2)14-6-7-14)26-18(25-16)28-10-9-15(27-28)19(20,21)22/h9-10,12,14H,3-8H2,1-2H3,(H,23,24,25,26)/t12-/m1/s1
InChIKeyFBPADSBYGWGZDD-GFCCVEGCSA-N
XLogP4.33
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-4-(3-cyclopropylidenebutyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-4-(3-cyclopropylidenebutyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine (CID 146258737) is N-[(1R)-1-cyclopropylethyl]-4-(3-cyclopropylidenebutyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-4-(3-cyclopropylidenebutyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-4-(3-cyclopropylidenebutyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine is CC(CCc1nc(N[C@H](C)C2CC2)nc(-n2ccc(C(F)(F)F)n2)n1)=C1CC1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-4-(3-cyclopropylidenebutyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is FBPADSBYGWGZDD-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H23F3N6/c1-11(13-4-5-13)3-8-16-24-17(23-12(2)14-6-7-14)26-18(25-16)28-10-9-15(27-28)19(20,21)22/h9-10,12,14H,3-8H2,1-2H3,(H,23,24,25,26)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-4-(3-cyclopropylidenebutyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine?
N-[(1R)-1-cyclopropylethyl]-4-(3-cyclopropylidenebutyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 392.43 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-4-(3-cyclopropylidenebutyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 146258737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).