(1R)-N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C15H21F3N6 — CID 164632197

IUPAC(1R)-N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1[C@@H](NCc1nc(C2CC2)nn1C)C(F)(F)F
InChIInChI=1S/C15H21F3N6/c1-8-12(9(2)23(3)21-8)13(15(16,17)18)19-7-11-20-14(10-5-6-10)22-24(11)4/h10,13,19H,5-7H2,1-4H3/t13-/m1/s1
InChIKeyIPDASOKUYBBJRR-CYBMUJFWSA-N
MW342.37 g/mol
LogP2.44
Rot. Bonds5

About (1R)-N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

(1R)-N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 164632197) has the molecular formula C15H21F3N6 and a molecular weight of 342.37 g/mol. Its IUPAC name is (1R)-N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID164632197
Molecular FormulaC15H21F3N6
Molecular Weight342.37 g/mol
Exact Mass342.18
IUPAC Name(1R)-N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1[C@@H](NCc1nc(C2CC2)nn1C)C(F)(F)F
InChIInChI=1S/C15H21F3N6/c1-8-12(9(2)23(3)21-8)13(15(16,17)18)19-7-11-20-14(10-5-6-10)22-24(11)4/h10,13,19H,5-7H2,1-4H3/t13-/m1/s1
InChIKeyIPDASOKUYBBJRR-CYBMUJFWSA-N
XLogP2.44
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of (1R)-N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 164632197) is (1R)-N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for (1R)-N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for (1R)-N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is Cc1nn(C)c(C)c1[C@@H](NCc1nc(C2CC2)nn1C)C(F)(F)F.
What is the InChIKey of (1R)-N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is IPDASOKUYBBJRR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21F3N6/c1-8-12(9(2)23(3)21-8)13(15(16,17)18)19-7-11-20-14(10-5-6-10)22-24(11)4/h10,13,19H,5-7H2,1-4H3/t13-/m1/s1.
What are the key properties of (1R)-N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
(1R)-N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 342.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 164632197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).