(2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide

C11H21N5O — CID 64532327

IUPAC(2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C11H21N5O/c1-3-8(2)10(12)11(17)13-6-4-5-9-14-7-15-16-9/h7-8,10H,3-6,12H2,1-2H3,(H,13,17)(H,14,15,16)/t8-,10-/m0/s1
InChIKeyYMZOPZBCOQLPLP-WPRPVWTQSA-N
MW239.32 g/mol
LogP0.23
Rot. Bonds7

About (2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide

(2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide (PubChem CID 64532327) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
PubChem CID64532327
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C11H21N5O/c1-3-8(2)10(12)11(17)13-6-4-5-9-14-7-15-16-9/h7-8,10H,3-6,12H2,1-2H3,(H,13,17)(H,14,15,16)/t8-,10-/m0/s1
InChIKeyYMZOPZBCOQLPLP-WPRPVWTQSA-N
XLogP0.23
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide with MolForge

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Related Compounds

(2S)-2-amino-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 64531146
2,3-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 64547511
(2S)-3-methyl-2-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoylamino]pentanoic acid
CID 64530796
propan-2-yl N-[3-(1H-1,2,4-triazol-5-yl)propyl]carbamate
CID 64530259
(2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 79023094
4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 79192690
2,2-dimethyl-N-[1-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylamino]propan-2-yl]propanamide
CID 64547456
2-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64548620
2-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 64530178
6-amino-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptanamide
CID 65291250
2-(aminomethyl)-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 113270096
3-hydroxy-2-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoylamino]butanoic acid
CID 64529603

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide (CID 64532327) is (2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide is CC[C@H](C)[C@H](N)C(=O)NCCCc1ncn[nH]1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide?
The InChIKey is YMZOPZBCOQLPLP-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H21N5O/c1-3-8(2)10(12)11(17)13-6-4-5-9-14-7-15-16-9/h7-8,10H,3-6,12H2,1-2H3,(H,13,17)(H,14,15,16)/t8-,10-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide?
(2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide has a molecular weight of 239.32 g/mol, XLogP of 0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide is sourced from PubChem (CID 64532327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).