(3R)-3-(1H-1,2,4-triazol-5-yl)-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide

C14H22F3N5O2 — CID 124883852

IUPAC(3R)-3-(1H-1,2,4-triazol-5-yl)-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide
SMILESCC(C)(C)C[C@@H](NC(=O)N1CCOC[C@H]1c1ncn[nH]1)C(F)(F)F
InChIInChI=1S/C14H22F3N5O2/c1-13(2,3)6-10(14(15,16)17)20-12(23)22-4-5-24-7-9(22)11-18-8-19-21-11/h8-10H,4-7H2,1-3H3,(H,20,23)(H,18,19,21)/t9-,10+/m0/s1
InChIKeyIIHVMCHVZMIANS-VHSXEESVSA-N
MW349.36 g/mol
LogP2.25
Rot. Bonds3

About (3R)-3-(1H-1,2,4-triazol-5-yl)-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide

(3R)-3-(1H-1,2,4-triazol-5-yl)-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide (PubChem CID 124883852) has the molecular formula C14H22F3N5O2 and a molecular weight of 349.36 g/mol. Its IUPAC name is (3R)-3-(1H-1,2,4-triazol-5-yl)-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-3-(1H-1,2,4-triazol-5-yl)-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide
PubChem CID124883852
Molecular FormulaC14H22F3N5O2
Molecular Weight349.36 g/mol
Exact Mass349.17
IUPAC Name(3R)-3-(1H-1,2,4-triazol-5-yl)-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide
SMILESCC(C)(C)C[C@@H](NC(=O)N1CCOC[C@H]1c1ncn[nH]1)C(F)(F)F
InChIInChI=1S/C14H22F3N5O2/c1-13(2,3)6-10(14(15,16)17)20-12(23)22-4-5-24-7-9(22)11-18-8-19-21-11/h8-10H,4-7H2,1-3H3,(H,20,23)(H,18,19,21)/t9-,10+/m0/s1
InChIKeyIIHVMCHVZMIANS-VHSXEESVSA-N
XLogP2.25
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-1,2,4-triazol-5-yl)-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide?
The IUPAC name of (3R)-3-(1H-1,2,4-triazol-5-yl)-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide (CID 124883852) is (3R)-3-(1H-1,2,4-triazol-5-yl)-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for (3R)-3-(1H-1,2,4-triazol-5-yl)-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for (3R)-3-(1H-1,2,4-triazol-5-yl)-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide is CC(C)(C)C[C@@H](NC(=O)N1CCOC[C@H]1c1ncn[nH]1)C(F)(F)F.
What is the InChIKey of (3R)-3-(1H-1,2,4-triazol-5-yl)-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide?
The InChIKey is IIHVMCHVZMIANS-VHSXEESVSA-N. The full InChI is InChI=1S/C14H22F3N5O2/c1-13(2,3)6-10(14(15,16)17)20-12(23)22-4-5-24-7-9(22)11-18-8-19-21-11/h8-10H,4-7H2,1-3H3,(H,20,23)(H,18,19,21)/t9-,10+/m0/s1.
What are the key properties of (3R)-3-(1H-1,2,4-triazol-5-yl)-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide?
(3R)-3-(1H-1,2,4-triazol-5-yl)-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide has a molecular weight of 349.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-1,2,4-triazol-5-yl)-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 124883852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).