N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide

C14H15N5O — CID 45497188

IUPACN-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2c[nH]c3ccccc23)nn1
InChIInChI=1S/C14H15N5O/c1-19-9-13(17-18-19)14(20)15-7-6-10-8-16-12-5-3-2-4-11(10)12/h2-5,8-9,16H,6-7H2,1H3,(H,15,20)
InChIKeyLNBRKLKDAKBUBF-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.27
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide (PubChem CID 45497188) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
PubChem CID45497188
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2c[nH]c3ccccc23)nn1
InChIInChI=1S/C14H15N5O/c1-19-9-13(17-18-19)14(20)15-7-6-10-8-16-12-5-3-2-4-11(10)12/h2-5,8-9,16H,6-7H2,1H3,(H,15,20)
InChIKeyLNBRKLKDAKBUBF-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 103803030
N-[2-(1H-indol-3-yl)ethyl]-2-methyltriazole-4-carboxamide
CID 110691403
N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 23610505
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849781
N-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116156
1-methyl-N-[2-(2-methylsulfanylphenyl)ethyl]triazole-4-carboxamide
CID 110482116
N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 84576677
N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrazine-2-carboxamide
CID 146080613
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427
N-[2-(1H-indol-3-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 17418655
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 51210971

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide (CID 45497188) is N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide is Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)nn1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide?
The InChIKey is LNBRKLKDAKBUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-19-9-13(17-18-19)14(20)15-7-6-10-8-16-12-5-3-2-4-11(10)12/h2-5,8-9,16H,6-7H2,1H3,(H,15,20).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 45497188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).