4-amino-4-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide

C15H21N5O — CID 64530541

IUPAC4-amino-4-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
SMILESNC(CCC(=O)NCCCc1ncn[nH]1)c1ccccc1
InChIInChI=1S/C15H21N5O/c16-13(12-5-2-1-3-6-12)8-9-15(21)17-10-4-7-14-18-11-19-20-14/h1-3,5-6,11,13H,4,7-10,16H2,(H,17,21)(H,18,19,20)
InChIKeyBHGPZGXRRVTNOP-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.33
Rot. Bonds8

About 4-amino-4-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide

4-amino-4-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide (PubChem CID 64530541) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-amino-4-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide.

Molecular Properties

Compound Name4-amino-4-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
PubChem CID64530541
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-amino-4-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
SMILESNC(CCC(=O)NCCCc1ncn[nH]1)c1ccccc1
InChIInChI=1S/C15H21N5O/c16-13(12-5-2-1-3-6-12)8-9-15(21)17-10-4-7-14-18-11-19-20-14/h1-3,5-6,11,13H,4,7-10,16H2,(H,17,21)(H,18,19,20)
InChIKeyBHGPZGXRRVTNOP-UHFFFAOYSA-N
XLogP1.33
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 79192690
3-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64530629
4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide
CID 63323993
methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate
CID 63324390
4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 64546403
4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
CID 63323737
4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011430
(2S)-2-amino-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 64531146
4-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 79001382
4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide
CID 63323905
6-acetamido-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide
CID 64547268
4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 63324363

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide?
The IUPAC name of 4-amino-4-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide (CID 64530541) is 4-amino-4-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide.
What is the SMILES notation for 4-amino-4-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide?
The canonical SMILES for 4-amino-4-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide is NC(CCC(=O)NCCCc1ncn[nH]1)c1ccccc1.
What is the InChIKey of 4-amino-4-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide?
The InChIKey is BHGPZGXRRVTNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c16-13(12-5-2-1-3-6-12)8-9-15(21)17-10-4-7-14-18-11-19-20-14/h1-3,5-6,11,13H,4,7-10,16H2,(H,17,21)(H,18,19,20).
What are the key properties of 4-amino-4-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide?
4-amino-4-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide has a molecular weight of 287.37 g/mol, XLogP of 1.33, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide is sourced from PubChem (CID 64530541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).