N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide

C21H16N6O — CID 91893399

IUPACN-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1nnc2ccc(-c3ccccc3)nn12)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H16N6O/c28-21(18-12-15-8-4-5-9-16(15)23-18)22-13-20-25-24-19-11-10-17(26-27(19)20)14-6-2-1-3-7-14/h1-12,23H,13H2,(H,22,28)
InChIKeyZKSGNEKJANYHNH-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.20
Rot. Bonds4

About N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide

N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 91893399) has the molecular formula C21H16N6O and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide
PubChem CID91893399
Molecular FormulaC21H16N6O
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC NameN-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1nnc2ccc(-c3ccccc3)nn12)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H16N6O/c28-21(18-12-15-8-4-5-9-16(15)23-18)22-13-20-25-24-19-11-10-17(26-27(19)20)14-6-2-1-3-7-14/h1-12,23H,13H2,(H,22,28)
InChIKeyZKSGNEKJANYHNH-UHFFFAOYSA-N
XLogP3.20
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide
CID 91893423
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide
CID 90515664
N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]phenyl]acetamide
CID 59338939
6-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide
CID 91818965
2-methoxy-N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]benzamide
CID 91893525
5-methyl-N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]thiophene-2-carboxamide
CID 91893488
N-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-difluorobenzamide
CID 91893450
(2S)-N-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2-phenylpropanamide
CID 99757799
N-(furan-3-ylmethyl)-1H-indole-2-carboxamide
CID 47034241
N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 9374796
N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 46921176
N-[(4-ethyl-7-phenyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-13-yl)methyl]-1H-indole-2-carboxamide
CID 67728007

Frequently Asked Questions

What is the IUPAC name of N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide (CID 91893399) is N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide is O=C(NCc1nnc2ccc(-c3ccccc3)nn12)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is ZKSGNEKJANYHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O/c28-21(18-12-15-8-4-5-9-16(15)23-18)22-13-20-25-24-19-11-10-17(26-27(19)20)14-6-2-1-3-7-14/h1-12,23H,13H2,(H,22,28).
What are the key properties of N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide?
N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 91893399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).