1-ethyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide

C14H15N5O — CID 110501591

IUPAC1-ethyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide
SMILESCCn1c(C(=O)Nc2ncn[nH]2)c(C)c2ccccc21
InChIInChI=1S/C14H15N5O/c1-3-19-11-7-5-4-6-10(11)9(2)12(19)13(20)17-14-15-8-16-18-14/h4-8H,3H2,1-2H3,(H2,15,16,17,18,20)
InChIKeyDJNIMAHFYXNFJP-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.34
Rot. Bonds3

About 1-ethyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide

1-ethyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide (PubChem CID 110501591) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide
PubChem CID110501591
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name1-ethyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide
SMILESCCn1c(C(=O)Nc2ncn[nH]2)c(C)c2ccccc21
InChIInChI=1S/C14H15N5O/c1-3-19-11-7-5-4-6-10(11)9(2)12(19)13(20)17-14-15-8-16-18-14/h4-8H,3H2,1-2H3,(H2,15,16,17,18,20)
InChIKeyDJNIMAHFYXNFJP-UHFFFAOYSA-N
XLogP2.34
TPSA75.60 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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide
CID 110501382
1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
CID 110501570
N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501475
1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
CID 110501576
N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501443
N-benzyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497374
N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497379
1-ethyl-3-methyl-N-(2,4,4-trimethylpentan-2-yl)indole-2-carboxamide
CID 110497414
2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30865225
1-ethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 110501424
2-[[2-[(1-ethyl-3-methylindole-2-carbonyl)amino]acetyl]amino]acetic acid
CID 110497425
1-ethyl-N-(furan-2-ylmethyl)-3-methylindole-2-carboxamide
CID 110497370

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide (CID 110501591) is 1-ethyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide is CCn1c(C(=O)Nc2ncn[nH]2)c(C)c2ccccc21.
What is the InChIKey of 1-ethyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide?
The InChIKey is DJNIMAHFYXNFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-3-19-11-7-5-4-6-10(11)9(2)12(19)13(20)17-14-15-8-16-18-14/h4-8H,3H2,1-2H3,(H2,15,16,17,18,20).
What are the key properties of 1-ethyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide?
1-ethyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide is sourced from PubChem (CID 110501591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).