1-tert-butyl-N-[2-(1H-indol-2-yl)ethyl]triazole-4-carboxamide

C17H21N5O — CID 126785743

IUPAC1-tert-butyl-N-[2-(1H-indol-2-yl)ethyl]triazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)NCCc2cc3ccccc3[nH]2)nn1
InChIInChI=1S/C17H21N5O/c1-17(2,3)22-11-15(20-21-22)16(23)18-9-8-13-10-12-6-4-5-7-14(12)19-13/h4-7,10-11,19H,8-9H2,1-3H3,(H,18,23)
InChIKeyCKYHPXQGEIEJBG-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.49
Rot. Bonds4

About 1-tert-butyl-N-[2-(1H-indol-2-yl)ethyl]triazole-4-carboxamide

1-tert-butyl-N-[2-(1H-indol-2-yl)ethyl]triazole-4-carboxamide (PubChem CID 126785743) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-tert-butyl-N-[2-(1H-indol-2-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[2-(1H-indol-2-yl)ethyl]triazole-4-carboxamide
PubChem CID126785743
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name1-tert-butyl-N-[2-(1H-indol-2-yl)ethyl]triazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)NCCc2cc3ccccc3[nH]2)nn1
InChIInChI=1S/C17H21N5O/c1-17(2,3)22-11-15(20-21-22)16(23)18-9-8-13-10-12-6-4-5-7-14(12)19-13/h4-7,10-11,19H,8-9H2,1-3H3,(H,18,23)
InChIKeyCKYHPXQGEIEJBG-UHFFFAOYSA-N
XLogP2.49
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-N-[2-(1H-indol-2-yl)ethyl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1H-indol-2-yl)ethyl]acetamide
CID 10465460
N-[2-(1H-indol-2-yl)ethyl]-1,2,3-benzothiadiazole-5-carboxamide
CID 6620476
1-[2-(1H-indol-2-yl)ethyl]-3-propan-2-ylurea
CID 75385727
3-[2-(1H-indol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122065768
1-tert-butyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide
CID 126770892
4-[3-[2-(1H-indol-2-yl)ethylamino]-3-oxopropyl]benzoic acid
CID 75516623
1-tert-butyl-N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]triazole-4-carboxamide
CID 124855679
1-[2-(1H-indol-2-yl)ethyl]-3-naphthalen-1-ylurea
CID 6456936
2-(2-fluoroethyl)-1H-indole
CID 142633825
4-(1H-indol-2-yl)-2-methylbutan-2-amine
CID 116995131
4-(1H-indol-2-yl)butan-2-one
CID 10954278
(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide
CID 146440140

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[2-(1H-indol-2-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-[2-(1H-indol-2-yl)ethyl]triazole-4-carboxamide (CID 126785743) is 1-tert-butyl-N-[2-(1H-indol-2-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[2-(1H-indol-2-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[2-(1H-indol-2-yl)ethyl]triazole-4-carboxamide is CC(C)(C)n1cc(C(=O)NCCc2cc3ccccc3[nH]2)nn1.
What is the InChIKey of 1-tert-butyl-N-[2-(1H-indol-2-yl)ethyl]triazole-4-carboxamide?
The InChIKey is CKYHPXQGEIEJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-17(2,3)22-11-15(20-21-22)16(23)18-9-8-13-10-12-6-4-5-7-14(12)19-13/h4-7,10-11,19H,8-9H2,1-3H3,(H,18,23).
What are the key properties of 1-tert-butyl-N-[2-(1H-indol-2-yl)ethyl]triazole-4-carboxamide?
1-tert-butyl-N-[2-(1H-indol-2-yl)ethyl]triazole-4-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[2-(1H-indol-2-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 126785743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).