N-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide

C8H15N5O — CID 104873120

IUPACN-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)N[C@H](C)CN)n1cncn1
InChIInChI=1S/C8H15N5O/c1-6(3-9)12-8(14)7(2)13-5-10-4-11-13/h4-7H,3,9H2,1-2H3,(H,12,14)/t6-,7?/m1/s1
InChIKeyWXOKKIBJTGTKII-ULUSZKPHSA-N
MW197.24 g/mol
LogP-0.70
Rot. Bonds4

About N-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide

N-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 104873120) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID104873120
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)N[C@H](C)CN)n1cncn1
InChIInChI=1S/C8H15N5O/c1-6(3-9)12-8(14)7(2)13-5-10-4-11-13/h4-7H,3,9H2,1-2H3,(H,12,14)/t6-,7?/m1/s1
InChIKeyWXOKKIBJTGTKII-ULUSZKPHSA-N
XLogP-0.70
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 60729091
N-(4-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 115283422
N-pent-4-yn-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 115661997
ethyl 2-[2-(1,2,4-triazol-1-yl)propanoylamino]propanoate
CID 54960602
(2R)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 78972744
N-(1-hydroxy-3-methylbutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 79252621
N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 83032149
N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43417459
N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 60729141
N-(1-aminopropan-2-yl)-2-pyrazol-1-ylpropanamide
CID 63732994
N-(1-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43419282
methyl 4-methyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]pentanoate
CID 43423843

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide (CID 104873120) is N-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)N[C@H](C)CN)n1cncn1.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is WXOKKIBJTGTKII-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H15N5O/c1-6(3-9)12-8(14)7(2)13-5-10-4-11-13/h4-7H,3,9H2,1-2H3,(H,12,14)/t6-,7?/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 197.24 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 104873120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).