N-[2-(1H-indol-3-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C17H16N6O — CID 2109632

IUPACN-[2-(1H-indol-3-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NCCc3c[nH]c4ccccc34)nn12
InChIInChI=1S/C17H16N6O/c1-11-6-8-19-17-21-15(22-23(11)17)16(24)18-9-7-12-10-20-14-5-3-2-4-13(12)14/h2-6,8,10,20H,7,9H2,1H3,(H,18,24)
InChIKeyWXJCYFDXLWQXEV-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.89
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2109632) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2109632
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NCCc3c[nH]c4ccccc34)nn12
InChIInChI=1S/C17H16N6O/c1-11-6-8-19-17-21-15(22-23(11)17)16(24)18-9-7-12-10-20-14-5-3-2-4-13(12)14/h2-6,8,10,20H,7,9H2,1H3,(H,18,24)
InChIKeyWXJCYFDXLWQXEV-UHFFFAOYSA-N
XLogP1.89
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109309635
N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203848
N-[2-(1H-indol-3-yl)ethyl]-2-methyltriazole-4-carboxamide
CID 110691403
N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 103803030
N-[2-(1H-indol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110853433
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427
N-[2-(1H-indol-3-yl)ethyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42693068
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrazine-2-carboxamide
CID 146080613
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]-1-methyltriazole-4-carboxamide
CID 45497188
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 110696129

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2109632) is N-[2-(1H-indol-3-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)NCCc3c[nH]c4ccccc34)nn12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is WXJCYFDXLWQXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-11-6-8-19-17-21-15(22-23(11)17)16(24)18-9-7-12-10-20-14-5-3-2-4-13(12)14/h2-6,8,10,20H,7,9H2,1H3,(H,18,24).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2109632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).