N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide

C14H15N5O2 — CID 136849781

IUPACN-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCn1nc(C(=O)NCCc2c[nH]c3ccccc23)[nH]c1=O
InChIInChI=1S/C14H15N5O2/c1-19-14(21)17-12(18-19)13(20)15-7-6-9-8-16-11-5-3-2-4-10(9)11/h2-5,8,16H,6-7H2,1H3,(H,15,20)(H,17,18,21)
InChIKeyKSCWIFIBQRSVKZ-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.56
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide (PubChem CID 136849781) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
PubChem CID136849781
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCn1nc(C(=O)NCCc2c[nH]c3ccccc23)[nH]c1=O
InChIInChI=1S/C14H15N5O2/c1-19-14(21)17-12(18-19)13(20)15-7-6-9-8-16-11-5-3-2-4-10(9)11/h2-5,8,16H,6-7H2,1H3,(H,15,20)(H,17,18,21)
InChIKeyKSCWIFIBQRSVKZ-UHFFFAOYSA-N
XLogP0.56
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.56
H-Bond Donors ≤ 53
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-methyltriazole-4-carboxamide
CID 45497188
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427
N-[2-(1H-indol-3-yl)ethyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
CID 110702006
N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrazine-2-carboxamide
CID 146080613
3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794556
N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 84576677
N-[2-(1H-indol-3-yl)ethyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 78767432
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-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide (CID 136849781) is N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide is Cn1nc(C(=O)NCCc2c[nH]c3ccccc23)[nH]c1=O.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The InChIKey is KSCWIFIBQRSVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-19-14(21)17-12(18-19)13(20)15-7-6-9-8-16-11-5-3-2-4-10(9)11/h2-5,8,16H,6-7H2,1H3,(H,15,20)(H,17,18,21).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 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-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136849781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).