N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-6-carboxamide

C15H15N5O — CID 64548430

IUPACN-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-6-carboxamide
SMILESO=C(NCCCc1ncn[nH]1)c1ccc2ncccc2c1
InChIInChI=1S/C15H15N5O/c21-15(17-8-2-4-14-18-10-19-20-14)12-5-6-13-11(9-12)3-1-7-16-13/h1,3,5-7,9-10H,2,4,8H2,(H,17,21)(H,18,19,20)
InChIKeyYFFATBUMEKHDKS-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.72
Rot. Bonds5

About N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-6-carboxamide

N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-6-carboxamide (PubChem CID 64548430) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-6-carboxamide
PubChem CID64548430
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-6-carboxamide
SMILESO=C(NCCCc1ncn[nH]1)c1ccc2ncccc2c1
InChIInChI=1S/C15H15N5O/c21-15(17-8-2-4-14-18-10-19-20-14)12-5-6-13-11(9-12)3-1-7-16-13/h1,3,5-7,9-10H,2,4,8H2,(H,17,21)(H,18,19,20)
InChIKeyYFFATBUMEKHDKS-UHFFFAOYSA-N
XLogP1.72
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-indazole-5-carboxamide
CID 64518388
3,4-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64547641
N-octylquinoline-6-carboxamide
CID 68863650
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 64548674
3-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64519181
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
N-(3-cyanopropyl)quinoline-6-carboxamide
CID 55126884
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
2-oxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-dihydroindole-5-carboxamide
CID 103711180
6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide
CID 115283343
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1-benzothiophene-2-carboxamide
CID 64519148

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-6-carboxamide?
The IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-6-carboxamide (CID 64548430) is N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-6-carboxamide?
The canonical SMILES for N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-6-carboxamide is O=C(NCCCc1ncn[nH]1)c1ccc2ncccc2c1.
What is the InChIKey of N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-6-carboxamide?
The InChIKey is YFFATBUMEKHDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c21-15(17-8-2-4-14-18-10-19-20-14)12-5-6-13-11(9-12)3-1-7-16-13/h1,3,5-7,9-10H,2,4,8H2,(H,17,21)(H,18,19,20).
What are the key properties of N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-6-carboxamide?
N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-6-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 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]quinoline-6-carboxamide is sourced from PubChem (CID 64548430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).