N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-(1,2,4-triazol-1-yl)propanamide

C11H18N4O2 — CID 94094184

IUPACN-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@H](NC(=O)CCn1cncn1)[C@@H]1CCCO1
InChIInChI=1S/C11H18N4O2/c1-9(10-3-2-6-17-10)14-11(16)4-5-15-8-12-7-13-15/h7-10H,2-6H2,1H3,(H,14,16)/t9-,10-/m0/s1
InChIKeyCABGRGBJLXXOED-UWVGGRQHSA-N
MW238.29 g/mol
LogP0.35
Rot. Bonds5

About N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 94094184) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID94094184
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@H](NC(=O)CCn1cncn1)[C@@H]1CCCO1
InChIInChI=1S/C11H18N4O2/c1-9(10-3-2-6-17-10)14-11(16)4-5-15-8-12-7-13-15/h7-10H,2-6H2,1H3,(H,14,16)/t9-,10-/m0/s1
InChIKeyCABGRGBJLXXOED-UWVGGRQHSA-N
XLogP0.35
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 94094184) is N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-(1,2,4-triazol-1-yl)propanamide is C[C@H](NC(=O)CCn1cncn1)[C@@H]1CCCO1.
What is the InChIKey of N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is CABGRGBJLXXOED-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-9(10-3-2-6-17-10)14-11(16)4-5-15-8-12-7-13-15/h7-10H,2-6H2,1H3,(H,14,16)/t9-,10-/m0/s1.
What are the key properties of N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 238.29 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 94094184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).