2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C14H15N5O — CID 60981974

IUPAC2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)NCc1ncn[nH]1
InChIInChI=1S/C14H15N5O/c1-10-6-11-4-2-3-5-12(11)19(10)8-14(20)15-7-13-16-9-17-18-13/h2-6,9H,7-8H2,1H3,(H,15,20)(H,16,17,18)
InChIKeyWEKFBWQUMNWDOS-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.38
Rot. Bonds4

About 2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 60981974) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID60981974
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)NCc1ncn[nH]1
InChIInChI=1S/C14H15N5O/c1-10-6-11-4-2-3-5-12(11)19(10)8-14(20)15-7-13-16-9-17-18-13/h2-6,9H,7-8H2,1H3,(H,15,20)(H,16,17,18)
InChIKeyWEKFBWQUMNWDOS-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30865225
2-(2-methylindol-1-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 9093001
2-(benzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54885288
2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51238620
N-cyclopropyl-2-[[2-(2-methylindol-1-yl)acetyl]amino]acetamide
CID 46418927
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide
CID 55801706
N-methyl-3-[[[2-(2-methylindol-1-yl)acetyl]amino]methyl]benzamide
CID 30858933
N-[2-(methanesulfonamido)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 36907060
2-(2-methylindol-1-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]acetamide
CID 52659609
2-(2-methylindol-1-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 4173283
2-(2-methylindol-1-yl)-N-pyridin-4-ylacetamide
CID 27700402
N-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide
CID 107299993

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 60981974) is 2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is Cc1cc2ccccc2n1CC(=O)NCc1ncn[nH]1.
What is the InChIKey of 2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is WEKFBWQUMNWDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10-6-11-4-2-3-5-12(11)19(10)8-14(20)15-7-13-16-9-17-18-13/h2-6,9H,7-8H2,1H3,(H,15,20)(H,16,17,18).
What are the key properties of 2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 269.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 60981974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).