3-(1-methylindol-3-yl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide

C15H17N5O — CID 71917336

IUPAC3-(1-methylindol-3-yl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCn1ncnc1NC(=O)CCc1cn(C)c2ccccc12
InChIInChI=1S/C15H17N5O/c1-19-9-11(12-5-3-4-6-13(12)19)7-8-14(21)18-15-16-10-17-20(15)2/h3-6,9-10H,7-8H2,1-2H3,(H,16,17,18,21)
InChIKeyQVZJCCDBPXYNTI-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.88
Rot. Bonds4

About 3-(1-methylindol-3-yl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide

3-(1-methylindol-3-yl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide (PubChem CID 71917336) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide
PubChem CID71917336
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name3-(1-methylindol-3-yl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCn1ncnc1NC(=O)CCc1cn(C)c2ccccc12
InChIInChI=1S/C15H17N5O/c1-19-9-11(12-5-3-4-6-13(12)19)7-8-14(21)18-15-16-10-17-20(15)2/h3-6,9-10H,7-8H2,1-2H3,(H,16,17,18,21)
InChIKeyQVZJCCDBPXYNTI-UHFFFAOYSA-N
XLogP1.88
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1H-imidazol-2-yl)-3-(1-methylindol-3-yl)propanamide
CID 71913209
N-ethyl-3-(1-methylindol-3-yl)propanamide
CID 167074114
3-(1-methylindol-3-yl)-N-propan-2-ylpropanamide
CID 110847846
3-(1-methylindol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 71702593
5-(1-methylindol-3-yl)-N-(1,3-thiazol-2-yl)pentanamide
CID 140983112
N-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide
CID 22522913
4-(1-methylindol-3-yl)butanamide
CID 175206986
3-(1-methylindol-3-yl)-N-(1-pyridin-2-ylazetidin-3-yl)propanamide
CID 154847663
2-(2-methoxyphenyl)-N-(2-methyl-1,2,4-triazol-3-yl)acetamide
CID 71917325
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(1-methylindol-3-yl)propanamide
CID 71709200
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 82495529

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-(1-methylindol-3-yl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide (CID 71917336) is 3-(1-methylindol-3-yl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-(1-methylindol-3-yl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-(1-methylindol-3-yl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide is Cn1ncnc1NC(=O)CCc1cn(C)c2ccccc12.
What is the InChIKey of 3-(1-methylindol-3-yl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is QVZJCCDBPXYNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-19-9-11(12-5-3-4-6-13(12)19)7-8-14(21)18-15-16-10-17-20(15)2/h3-6,9-10H,7-8H2,1-2H3,(H,16,17,18,21).
What are the key properties of 3-(1-methylindol-3-yl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide?
3-(1-methylindol-3-yl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 283.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 71917336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).