N-(4-indazol-1-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide

C18H16N6O — CID 75444619

IUPACN-(4-indazol-1-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1ccc(-n2ncc3ccccc32)cc1
InChIInChI=1S/C18H16N6O/c25-18(9-10-23-13-19-12-21-23)22-15-5-7-16(8-6-15)24-17-4-2-1-3-14(17)11-20-24/h1-8,11-13H,9-10H2,(H,22,25)
InChIKeyPZZXBAVRWLMODU-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.65
Rot. Bonds5

About N-(4-indazol-1-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide

N-(4-indazol-1-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 75444619) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-(4-indazol-1-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-indazol-1-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID75444619
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC NameN-(4-indazol-1-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1ccc(-n2ncc3ccccc32)cc1
InChIInChI=1S/C18H16N6O/c25-18(9-10-23-13-19-12-21-23)22-15-5-7-16(8-6-15)24-17-4-2-1-3-14(17)11-20-24/h1-8,11-13H,9-10H2,(H,22,25)
InChIKeyPZZXBAVRWLMODU-UHFFFAOYSA-N
XLogP2.65
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24676944
4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 28788777
N-[3-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24676210
2-[4-[3-(1,2,4-triazol-1-yl)propanoylamino]phenoxy]acetic acid
CID 62034643
3-[4-[3-(1,2,4-triazol-1-yl)propanoylamino]phenyl]propanoic acid
CID 81366961
N-(6-bromo-3-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 103789384
N-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 60709326
N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47137005
N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 16793646
N-(1H-indazol-7-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 24669397
1-(4-indazol-1-ylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 75454932
2-fluoro-5-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 60750143

Frequently Asked Questions

What is the IUPAC name of N-(4-indazol-1-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(4-indazol-1-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 75444619) is N-(4-indazol-1-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(4-indazol-1-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(4-indazol-1-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)Nc1ccc(-n2ncc3ccccc32)cc1.
What is the InChIKey of N-(4-indazol-1-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is PZZXBAVRWLMODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c25-18(9-10-23-13-19-12-21-23)22-15-5-7-16(8-6-15)24-17-4-2-1-3-14(17)11-20-24/h1-8,11-13H,9-10H2,(H,22,25).
What are the key properties of N-(4-indazol-1-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(4-indazol-1-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 332.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-indazol-1-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 75444619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).