2-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pentanamide

C14H19N5O — CID 119291926

IUPAC2-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1nncn1-c1ccccc1
InChIInChI=1S/C14H19N5O/c1-2-6-12(15)14(20)16-9-13-18-17-10-19(13)11-7-4-3-5-8-11/h3-5,7-8,10,12H,2,6,9,15H2,1H3,(H,16,20)
InChIKeyFMBCCAMDBAGRAO-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.01
Rot. Bonds6

About 2-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pentanamide

2-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pentanamide (PubChem CID 119291926) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pentanamide
PubChem CID119291926
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1nncn1-c1ccccc1
InChIInChI=1S/C14H19N5O/c1-2-6-12(15)14(20)16-9-13-18-17-10-19(13)11-7-4-3-5-8-11/h3-5,7-8,10,12H,2,6,9,15H2,1H3,(H,16,20)
InChIKeyFMBCCAMDBAGRAO-UHFFFAOYSA-N
XLogP1.01
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(methylamino)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 119728210
(2S)-2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylbutanamide
CID 106302587
2-amino-N-benzylpentanamide
CID 11020044
2-methoxy-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 53497973
1-(1-hydroxypentan-3-yl)-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea
CID 111454543
1-[(2S)-2-(diethylamino)propyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea
CID 94201454
1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 119291922
(2S)-2-(4-chlorophenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 51940925
1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119291921
(2S)-2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119855013
(2S)-2-(2,3-dihydroindol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 129403536
(2R)-2-amino-N-(pyridazin-3-ylmethyl)pentanamide
CID 107570944

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pentanamide?
The IUPAC name of 2-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pentanamide (CID 119291926) is 2-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pentanamide.
What is the SMILES notation for 2-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pentanamide?
The canonical SMILES for 2-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pentanamide is CCCC(N)C(=O)NCc1nncn1-c1ccccc1.
What is the InChIKey of 2-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pentanamide?
The InChIKey is FMBCCAMDBAGRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-6-12(15)14(20)16-9-13-18-17-10-19(13)11-7-4-3-5-8-11/h3-5,7-8,10,12H,2,6,9,15H2,1H3,(H,16,20).
What are the key properties of 2-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pentanamide?
2-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pentanamide has a molecular weight of 273.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pentanamide is sourced from PubChem (CID 119291926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).