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

C12H12N6O — CID 62686023

IUPACN-(1H-indazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1n[nH]c2ccccc12)n1cncn1
InChIInChI=1S/C12H12N6O/c1-8(18-7-13-6-14-18)12(19)15-11-9-4-2-3-5-10(9)16-17-11/h2-8H,1H3,(H2,15,16,17,19)
InChIKeyGKCIIPUGEHWGIA-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.35
Rot. Bonds3

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

N-(1H-indazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 62686023) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID62686023
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC NameN-(1H-indazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1n[nH]c2ccccc12)n1cncn1
InChIInChI=1S/C12H12N6O/c1-8(18-7-13-6-14-18)12(19)15-11-9-4-2-3-5-10(9)16-17-11/h2-8H,1H3,(H2,15,16,17,19)
InChIKeyGKCIIPUGEHWGIA-UHFFFAOYSA-N
XLogP1.35
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(1H-indazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide (CID 62686023) is N-(1H-indazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(1H-indazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(1H-indazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)Nc1n[nH]c2ccccc12)n1cncn1.
What is the InChIKey of N-(1H-indazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is GKCIIPUGEHWGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-8(18-7-13-6-14-18)12(19)15-11-9-4-2-3-5-10(9)16-17-11/h2-8H,1H3,(H2,15,16,17,19).
What are the key properties of N-(1H-indazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(1H-indazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 256.27 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 62686023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).