5-(1-propan-2-ylindol-5-yl)-2H-triazole-4-carboxamide

C14H15N5O — CID 169403832

IUPAC5-(1-propan-2-ylindol-5-yl)-2H-triazole-4-carboxamide
SMILESCC(C)n1ccc2cc(-c3n[nH]nc3C(N)=O)ccc21
InChIInChI=1S/C14H15N5O/c1-8(2)19-6-5-9-7-10(3-4-11(9)19)12-13(14(15)20)17-18-16-12/h3-8H,1-2H3,(H2,15,20)(H,16,17,18)
InChIKeyYFAFYWGIVGEWGY-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.11
Rot. Bonds3

About 5-(1-propan-2-ylindol-5-yl)-2H-triazole-4-carboxamide

5-(1-propan-2-ylindol-5-yl)-2H-triazole-4-carboxamide (PubChem CID 169403832) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 5-(1-propan-2-ylindol-5-yl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(1-propan-2-ylindol-5-yl)-2H-triazole-4-carboxamide
PubChem CID169403832
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name5-(1-propan-2-ylindol-5-yl)-2H-triazole-4-carboxamide
SMILESCC(C)n1ccc2cc(-c3n[nH]nc3C(N)=O)ccc21
InChIInChI=1S/C14H15N5O/c1-8(2)19-6-5-9-7-10(3-4-11(9)19)12-13(14(15)20)17-18-16-12/h3-8H,1-2H3,(H2,15,20)(H,16,17,18)
InChIKeyYFAFYWGIVGEWGY-UHFFFAOYSA-N
XLogP2.11
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(1-propan-2-ylindol-6-yl)-2H-triazole-4-carboxylate
CID 169400838
5-(3-bromo-4-methylphenyl)-2H-triazole-4-carboxamide
CID 169402148
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole-4-carboxamide
CID 169402124
5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide
CID 169403054
5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-triazole-4-carboxamide
CID 169404665
5-[3-(aminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169404272
methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-hydroxybenzoate
CID 169402146
5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032
5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide
CID 169402317
5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402641
5-(2,2-dimethylchromen-6-yl)-2H-triazole-4-carboxamide
CID 169404378
methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-methoxybenzoate
CID 169402123

Frequently Asked Questions

What is the IUPAC name of 5-(1-propan-2-ylindol-5-yl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(1-propan-2-ylindol-5-yl)-2H-triazole-4-carboxamide (CID 169403832) is 5-(1-propan-2-ylindol-5-yl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(1-propan-2-ylindol-5-yl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(1-propan-2-ylindol-5-yl)-2H-triazole-4-carboxamide is CC(C)n1ccc2cc(-c3n[nH]nc3C(N)=O)ccc21.
What is the InChIKey of 5-(1-propan-2-ylindol-5-yl)-2H-triazole-4-carboxamide?
The InChIKey is YFAFYWGIVGEWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-8(2)19-6-5-9-7-10(3-4-11(9)19)12-13(14(15)20)17-18-16-12/h3-8H,1-2H3,(H2,15,20)(H,16,17,18).
What are the key properties of 5-(1-propan-2-ylindol-5-yl)-2H-triazole-4-carboxamide?
5-(1-propan-2-ylindol-5-yl)-2H-triazole-4-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propan-2-ylindol-5-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).