N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide

C13H14N6O — CID 64518388

IUPACN-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide
SMILESO=C(NCCCc1ncn[nH]1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C13H14N6O/c20-13(14-5-1-2-12-15-8-17-19-12)9-3-4-11-10(6-9)7-16-18-11/h3-4,6-8H,1-2,5H2,(H,14,20)(H,16,18)(H,15,17,19)
InChIKeyXCRAUIWLRQOGCV-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.04
Rot. Bonds5

About N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide

N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide (PubChem CID 64518388) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide
PubChem CID64518388
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide
SMILESO=C(NCCCc1ncn[nH]1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C13H14N6O/c20-13(14-5-1-2-12-15-8-17-19-12)9-3-4-11-10(6-9)7-16-18-11/h3-4,6-8H,1-2,5H2,(H,14,20)(H,16,18)(H,15,17,19)
InChIKeyXCRAUIWLRQOGCV-UHFFFAOYSA-N
XLogP1.04
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64547641
N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-6-carboxamide
CID 64548430
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 64548674
2-oxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-dihydroindole-5-carboxamide
CID 103711180
3-(1H-indazole-5-carbonylamino)propanoic acid
CID 43354730
N-(2-phenylethyl)-1H-indazole-5-carboxamide
CID 22933558
N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide
CID 110485437
N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
CID 64548665
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-thieno[3,2-d]pyrazole-5-carboxamide
CID 138048160
6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide
CID 115283343
5,6-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
CID 64547910
6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid
CID 64523165

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide (CID 64518388) is N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide is O=C(NCCCc1ncn[nH]1)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide?
The InChIKey is XCRAUIWLRQOGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c20-13(14-5-1-2-12-15-8-17-19-12)9-3-4-11-10(6-9)7-16-18-11/h3-4,6-8H,1-2,5H2,(H,14,20)(H,16,18)(H,15,17,19).
What are the key properties of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide?
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide has a molecular weight of 270.30 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 64518388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).