N-[4-[1-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]triazol-4-yl]phenyl]acetamide

C20H19N7O — CID 96573952

IUPACN-[4-[1-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]triazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cn([C@@H](C)c3ccc(-n4cncn4)cc3)nn2)cc1
InChIInChI=1S/C20H19N7O/c1-14(16-5-9-19(10-6-16)27-13-21-12-22-27)26-11-20(24-25-26)17-3-7-18(8-4-17)23-15(2)28/h3-14H,1-2H3,(H,23,28)/t14-/m0/s1
InChIKeyBDHCFWTVXXJMON-AWEZNQCLSA-N
MW373.42 g/mol
LogP3.09
Rot. Bonds5

About N-[4-[1-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]triazol-4-yl]phenyl]acetamide

N-[4-[1-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]triazol-4-yl]phenyl]acetamide (PubChem CID 96573952) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[4-[1-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]triazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]triazol-4-yl]phenyl]acetamide
PubChem CID96573952
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC NameN-[4-[1-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]triazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cn([C@@H](C)c3ccc(-n4cncn4)cc3)nn2)cc1
InChIInChI=1S/C20H19N7O/c1-14(16-5-9-19(10-6-16)27-13-21-12-22-27)26-11-20(24-25-26)17-3-7-18(8-4-17)23-15(2)28/h3-14H,1-2H3,(H,23,28)/t14-/m0/s1
InChIKeyBDHCFWTVXXJMON-AWEZNQCLSA-N
XLogP3.09
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[1-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]triazol-4-yl]phenyl]acetamide with MolForge

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Related Compounds

2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 47303590
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
2-(4-methylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 134040349
2-(4-phenylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 55608786
5-acetamido-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-2-carboxamide
CID 24610948
2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 47156538
[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium
CID 7128983
(2S)-2-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79024180
1-(4-nitrophenyl)-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 60592148
2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 63680079
5-acetyl-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 37121264
N-[4-[1-(carbamoylamino)triazol-4-yl]phenyl]acetamide
CID 20980443

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]triazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]triazol-4-yl]phenyl]acetamide (CID 96573952) is N-[4-[1-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]triazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]triazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]triazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cn([C@@H](C)c3ccc(-n4cncn4)cc3)nn2)cc1.
What is the InChIKey of N-[4-[1-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]triazol-4-yl]phenyl]acetamide?
The InChIKey is BDHCFWTVXXJMON-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19N7O/c1-14(16-5-9-19(10-6-16)27-13-21-12-22-27)26-11-20(24-25-26)17-3-7-18(8-4-17)23-15(2)28/h3-14H,1-2H3,(H,23,28)/t14-/m0/s1.
What are the key properties of N-[4-[1-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]triazol-4-yl]phenyl]acetamide?
N-[4-[1-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]triazol-4-yl]phenyl]acetamide has a molecular weight of 373.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]triazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 96573952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).