(2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide

C14H20N4O2 — CID 129358962

IUPAC(2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1ccc(CC[C@H](C)NC(=O)[C@@H](C)n2cncn2)o1
InChIInChI=1S/C14H20N4O2/c1-10(4-6-13-7-5-11(2)20-13)17-14(19)12(3)18-9-15-8-16-18/h5,7-10,12H,4,6H2,1-3H3,(H,17,19)/t10-,12+/m0/s1
InChIKeyRHKWTKNPXQMIPI-CMPLNLGQSA-N
MW276.34 g/mol
LogP1.88
Rot. Bonds6

About (2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide

(2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 129358962) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID129358962
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name(2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1ccc(CC[C@H](C)NC(=O)[C@@H](C)n2cncn2)o1
InChIInChI=1S/C14H20N4O2/c1-10(4-6-13-7-5-11(2)20-13)17-14(19)12(3)18-9-15-8-16-18/h5,7-10,12H,4,6H2,1-3H3,(H,17,19)/t10-,12+/m0/s1
InChIKeyRHKWTKNPXQMIPI-CMPLNLGQSA-N
XLogP1.88
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide (CID 129358962) is (2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide is Cc1ccc(CC[C@H](C)NC(=O)[C@@H](C)n2cncn2)o1.
What is the InChIKey of (2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is RHKWTKNPXQMIPI-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(4-6-13-7-5-11(2)20-13)17-14(19)12(3)18-9-15-8-16-18/h5,7-10,12H,4,6H2,1-3H3,(H,17,19)/t10-,12+/m0/s1.
What are the key properties of (2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide?
(2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 276.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 129358962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).