N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-indole-7-carboxamide

C14H15N5O — CID 103706853

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-indole-7-carboxamide
SMILESCCn1cnnc1CNC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C14H15N5O/c1-2-19-9-17-18-12(19)8-16-14(20)11-5-3-4-10-6-7-15-13(10)11/h3-7,9,15H,2,8H2,1H3,(H,16,20)
InChIKeyRBEBGCNJEAZWLX-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.71
Rot. Bonds4

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-indole-7-carboxamide

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-indole-7-carboxamide (PubChem CID 103706853) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-indole-7-carboxamide
PubChem CID103706853
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-indole-7-carboxamide
SMILESCCn1cnnc1CNC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C14H15N5O/c1-2-19-9-17-18-12(19)8-16-14(20)11-5-3-4-10-6-7-15-13(10)11/h3-7,9,15H,2,8H2,1H3,(H,16,20)
InChIKeyRBEBGCNJEAZWLX-UHFFFAOYSA-N
XLogP1.71
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(propylamino)benzamide
CID 106303592
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114170961
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717599
N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide
CID 83030773
6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 106304155
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60516355
N-[(1-methylpyrrol-3-yl)methyl]-1H-indole-7-carboxamide
CID 103722337
2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylbenzamide
CID 106301555
N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-7-carboxamide
CID 122570183
4-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide;dihydrochloride
CID 119855022
5-amino-2-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 106301570
N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide
CID 106406322

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-indole-7-carboxamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-indole-7-carboxamide (CID 103706853) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-indole-7-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-indole-7-carboxamide is CCn1cnnc1CNC(=O)c1cccc2cc[nH]c12.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-indole-7-carboxamide?
The InChIKey is RBEBGCNJEAZWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-19-9-17-18-12(19)8-16-14(20)11-5-3-4-10-6-7-15-13(10)11/h3-7,9,15H,2,8H2,1H3,(H,16,20).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-indole-7-carboxamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-indole-7-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 103706853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).