3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide

C14H19N5O — CID 60854707

IUPAC3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide
SMILESCC(C)NCCC(=O)Nc1ccccc1-n1cncn1
InChIInChI=1S/C14H19N5O/c1-11(2)16-8-7-14(20)18-12-5-3-4-6-13(12)19-10-15-9-17-19/h3-6,9-11,16H,7-8H2,1-2H3,(H,18,20)
InChIKeyTZVXLIHVPHFIEB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.59
Rot. Bonds6

About 3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide

3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide (PubChem CID 60854707) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide
PubChem CID60854707
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide
SMILESCC(C)NCCC(=O)Nc1ccccc1-n1cncn1
InChIInChI=1S/C14H19N5O/c1-11(2)16-8-7-14(20)18-12-5-3-4-6-13(12)19-10-15-9-17-19/h3-6,9-11,16H,7-8H2,1-2H3,(H,18,20)
InChIKeyTZVXLIHVPHFIEB-UHFFFAOYSA-N
XLogP1.59
TPSA71.84 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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-4-[2-(1,2,4-triazol-1-yl)anilino]butanoic acid
CID 54867933
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 43699115
(2R)-2-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79011417
2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 65225295
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 35371590
5-amino-2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pentanamide
CID 104683976
N-(2-imidazol-1-ylphenyl)-4-(propan-2-ylamino)butanamide
CID 60849200
2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]butanediamide
CID 60847131
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide
CID 60927428
2-(benzotriazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 134062871
(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]hexanamide
CID 103830798
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(ethylamino)propanamide
CID 62833924

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide (CID 60854707) is 3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide is CC(C)NCCC(=O)Nc1ccccc1-n1cncn1.
What is the InChIKey of 3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide?
The InChIKey is TZVXLIHVPHFIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11(2)16-8-7-14(20)18-12-5-3-4-6-13(12)19-10-15-9-17-19/h3-6,9-11,16H,7-8H2,1-2H3,(H,18,20).
What are the key properties of 3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide?
3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide has a molecular weight of 273.34 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 60854707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).