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

C8H15N5O — CID 165344245

IUPAC(2S)-2-(methylamino)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide
SMILESCN[C@@H](C)C(=O)NCCn1cncn1
InChIInChI=1S/C8H15N5O/c1-7(9-2)8(14)11-3-4-13-6-10-5-12-13/h5-7,9H,3-4H2,1-2H3,(H,11,14)/t7-/m0/s1
InChIKeyGZLLOYZXSYNVSO-ZETCQYMHSA-N
MW197.24 g/mol
LogP-1.00
Rot. Bonds5

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

(2S)-2-(methylamino)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide (PubChem CID 165344245) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide
PubChem CID165344245
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name(2S)-2-(methylamino)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide
SMILESCN[C@@H](C)C(=O)NCCn1cncn1
InChIInChI=1S/C8H15N5O/c1-7(9-2)8(14)11-3-4-13-6-10-5-12-13/h5-7,9H,3-4H2,1-2H3,(H,11,14)/t7-/m0/s1
InChIKeyGZLLOYZXSYNVSO-ZETCQYMHSA-N
XLogP-1.00
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-(1,2,4-triazol-1-yl)ethyl]carbamate
CID 130752729
N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 61037544
2-methyl-1-propan-2-yl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide
CID 119129783
3-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine
CID 62562608
N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 83032454
2-(1,2,4-triazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
CID 50987387
N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine
CID 62562960
N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63733343
(3S)-3-(2-methylimidazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butanamide
CID 125162758
N-methyl-5-(1,2,4-triazol-1-yl)pentan-1-amine
CID 62449237
N-[2-(1,2,4-triazol-1-yl)ethyl]methanesulfonamide
CID 155316060
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 97136296

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-(methylamino)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide (CID 165344245) is (2S)-2-(methylamino)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(methylamino)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(methylamino)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide is CN[C@@H](C)C(=O)NCCn1cncn1.
What is the InChIKey of (2S)-2-(methylamino)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide?
The InChIKey is GZLLOYZXSYNVSO-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15N5O/c1-7(9-2)8(14)11-3-4-13-6-10-5-12-13/h5-7,9H,3-4H2,1-2H3,(H,11,14)/t7-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide?
(2S)-2-(methylamino)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide has a molecular weight of 197.24 g/mol, XLogP of -1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 165344245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).