N-[2-(1H-indol-3-yl)ethyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide

C14H13N5O3 — CID 110702006

IUPACN-[2-(1H-indol-3-yl)ethyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H13N5O3/c20-12(11-13(21)17-14(22)19-18-11)15-6-5-8-7-16-10-4-2-1-3-9(8)10/h1-4,7,16H,5-6H2,(H,15,20)(H2,17,19,21,22)
InChIKeyLHIUMMJNHFLGES-UHFFFAOYSA-N
MW299.29 g/mol
LogP-0.09
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide (PubChem CID 110702006) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
PubChem CID110702006
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H13N5O3/c20-12(11-13(21)17-14(22)19-18-11)15-6-5-8-7-16-10-4-2-1-3-9(8)10/h1-4,7,16H,5-6H2,(H,15,20)(H2,17,19,21,22)
InChIKeyLHIUMMJNHFLGES-UHFFFAOYSA-N
XLogP-0.09
TPSA123.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
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N-[2-(1H-indol-3-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
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3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
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N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
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N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
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N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide (CID 110702006) is N-[2-(1H-indol-3-yl)ethyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide?
The InChIKey is LHIUMMJNHFLGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c20-12(11-13(21)17-14(22)19-18-11)15-6-5-8-7-16-10-4-2-1-3-9(8)10/h1-4,7,16H,5-6H2,(H,15,20)(H2,17,19,21,22).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide has a molecular weight of 299.29 g/mol, XLogP of -0.09, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 110702006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).