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

C14H13N5O — CID 103725802

IUPACN-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide
SMILESCC(NC(=O)c1ccnc2ccccc12)c1ncn[nH]1
InChIInChI=1S/C14H13N5O/c1-9(13-16-8-17-19-13)18-14(20)11-6-7-15-12-5-3-2-4-10(11)12/h2-9H,1H3,(H,18,20)(H,16,17,19)
InChIKeyIGYFCXQWIQQDGU-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.84
Rot. Bonds3

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

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide (PubChem CID 103725802) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide
PubChem CID103725802
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide
SMILESCC(NC(=O)c1ccnc2ccccc12)c1ncn[nH]1
InChIInChI=1S/C14H13N5O/c1-9(13-16-8-17-19-13)18-14(20)11-6-7-15-12-5-3-2-4-10(11)12/h2-9H,1H3,(H,18,20)(H,16,17,19)
InChIKeyIGYFCXQWIQQDGU-UHFFFAOYSA-N
XLogP1.84
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106283174
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]indole-3-carboxamide
CID 103741487
N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 78814424
2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106283696
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103722949
N-[1-(4-ethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 134010257
2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106283558
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 103716638
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]quinoline-4-carboxamide
CID 112837432
N-hex-5-yn-3-ylquinoline-4-carboxamide
CID 113241212

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide?
The IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide (CID 103725802) is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide is CC(NC(=O)c1ccnc2ccccc12)c1ncn[nH]1.
What is the InChIKey of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide?
The InChIKey is IGYFCXQWIQQDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-9(13-16-8-17-19-13)18-14(20)11-6-7-15-12-5-3-2-4-10(11)12/h2-9H,1H3,(H,18,20)(H,16,17,19).
What are the key properties of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide?
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 103725802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).