N-(1H-indazol-7-yl)-3-(1,2,4-triazol-1-yl)propanamide

C12H12N6O — CID 24669397

IUPACN-(1H-indazol-7-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1cccc2cn[nH]c12
InChIInChI=1S/C12H12N6O/c19-11(4-5-18-8-13-7-15-18)16-10-3-1-2-9-6-14-17-12(9)10/h1-3,6-8H,4-5H2,(H,14,17)(H,16,19)
InChIKeyXCPMVXFTBSLPBY-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.18
Rot. Bonds4

About N-(1H-indazol-7-yl)-3-(1,2,4-triazol-1-yl)propanamide

N-(1H-indazol-7-yl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 24669397) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(1H-indazol-7-yl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1H-indazol-7-yl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID24669397
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC NameN-(1H-indazol-7-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1cccc2cn[nH]c12
InChIInChI=1S/C12H12N6O/c19-11(4-5-18-8-13-7-15-18)16-10-3-1-2-9-6-14-17-12(9)10/h1-3,6-8H,4-5H2,(H,14,17)(H,16,19)
InChIKeyXCPMVXFTBSLPBY-UHFFFAOYSA-N
XLogP1.18
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indazol-7-yl)butanamide
CID 36575526
N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
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4-hydroxy-N-(1H-indazol-7-yl)pentanamide
CID 79200987
N-quinolin-5-yl-3-(1,2,4-triazol-1-yl)propanamide
CID 24653404
N-(1H-indazol-7-yl)-5-methoxypentanamide
CID 86871615
N-(2-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 61130907
2-cyano-N-(1H-indazol-7-yl)acetamide
CID 110470078
N-(1H-indazol-7-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24669396
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 60802050
N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 16793646
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 47017047
N-[4-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24676944

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-7-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(1H-indazol-7-yl)-3-(1,2,4-triazol-1-yl)propanamide (CID 24669397) is N-(1H-indazol-7-yl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(1H-indazol-7-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(1H-indazol-7-yl)-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)Nc1cccc2cn[nH]c12.
What is the InChIKey of N-(1H-indazol-7-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is XCPMVXFTBSLPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c19-11(4-5-18-8-13-7-15-18)16-10-3-1-2-9-6-14-17-12(9)10/h1-3,6-8H,4-5H2,(H,14,17)(H,16,19).
What are the key properties of N-(1H-indazol-7-yl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(1H-indazol-7-yl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 256.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-7-yl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 24669397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).