N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C15H16F3N5O — CID 138000185

IUPACN-(1,1,1-trifluoro-3-phenylpropan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(F)(F)F)c1nc2n(n1)CCCN2
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)11(9-10-5-2-1-3-6-10)20-13(24)12-21-14-19-7-4-8-23(14)22-12/h1-3,5-6,11H,4,7-9H2,(H,20,24)(H,19,21,22)
InChIKeyFCZJRZMNFNMJGH-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.00
Rot. Bonds4

About N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 138000185) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-3-phenylpropan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID138000185
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC NameN-(1,1,1-trifluoro-3-phenylpropan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(F)(F)F)c1nc2n(n1)CCCN2
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)11(9-10-5-2-1-3-6-10)20-13(24)12-21-14-19-7-4-8-23(14)22-12/h1-3,5-6,11H,4,7-9H2,(H,20,24)(H,19,21,22)
InChIKeyFCZJRZMNFNMJGH-UHFFFAOYSA-N
XLogP2.00
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 138000185) is N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NC(Cc1ccccc1)C(F)(F)F)c1nc2n(n1)CCCN2.
What is the InChIKey of N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is FCZJRZMNFNMJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c16-15(17,18)11(9-10-5-2-1-3-6-10)20-13(24)12-21-14-19-7-4-8-23(14)22-12/h1-3,5-6,11H,4,7-9H2,(H,20,24)(H,19,21,22).
What are the key properties of N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 138000185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).