(3-amino-5-pyridin-2-yl-1,2,4-triazol-4-yl)-(1-methylindol-2-yl)methanone

C17H14N6O — CID 166399893

IUPAC(3-amino-5-pyridin-2-yl-1,2,4-triazol-4-yl)-(1-methylindol-2-yl)methanone
SMILESCn1c(C(=O)n2c(N)nnc2-c2ccccn2)cc2ccccc21
InChIInChI=1S/C17H14N6O/c1-22-13-8-3-2-6-11(13)10-14(22)16(24)23-15(20-21-17(23)18)12-7-4-5-9-19-12/h2-10H,1H3,(H2,18,21)
InChIKeyFGCYVNMLNJMICN-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.10
Rot. Bonds2

About (3-amino-5-pyridin-2-yl-1,2,4-triazol-4-yl)-(1-methylindol-2-yl)methanone

(3-amino-5-pyridin-2-yl-1,2,4-triazol-4-yl)-(1-methylindol-2-yl)methanone (PubChem CID 166399893) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is (3-amino-5-pyridin-2-yl-1,2,4-triazol-4-yl)-(1-methylindol-2-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-pyridin-2-yl-1,2,4-triazol-4-yl)-(1-methylindol-2-yl)methanone
PubChem CID166399893
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name(3-amino-5-pyridin-2-yl-1,2,4-triazol-4-yl)-(1-methylindol-2-yl)methanone
SMILESCn1c(C(=O)n2c(N)nnc2-c2ccccn2)cc2ccccc21
InChIInChI=1S/C17H14N6O/c1-22-13-8-3-2-6-11(13)10-14(22)16(24)23-15(20-21-17(23)18)12-7-4-5-9-19-12/h2-10H,1H3,(H2,18,21)
InChIKeyFGCYVNMLNJMICN-UHFFFAOYSA-N
XLogP2.10
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1-methylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 7329083
1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide
CID 116828513
ethane;[4-[3-(methylamino)-2-pyridinyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
CID 91005889
[(2R)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 1-methylindole-2-carboxylate
CID 94424760
1-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylethanone
CID 3857731
4-methyl-3-pyridin-2-yl-1,2,4-thiadiazol-5-one
CID 15074070
1-methyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid
CID 63892433
4-amino-1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxylic acid
CID 28805947
(5-aminofuran-2-yl)-(1-methylindol-2-yl)methanone
CID 82374139
2-[(3S)-1-(1-methylindole-2-carbonyl)piperidin-3-yl]acetamide
CID 95786373
2-(1-ethoxyethenyl)-1-methylindole
CID 143529432
methyl 1-methylindole-2-carboperoxoate
CID 140791750

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-pyridin-2-yl-1,2,4-triazol-4-yl)-(1-methylindol-2-yl)methanone?
The IUPAC name of (3-amino-5-pyridin-2-yl-1,2,4-triazol-4-yl)-(1-methylindol-2-yl)methanone (CID 166399893) is (3-amino-5-pyridin-2-yl-1,2,4-triazol-4-yl)-(1-methylindol-2-yl)methanone.
What is the SMILES notation for (3-amino-5-pyridin-2-yl-1,2,4-triazol-4-yl)-(1-methylindol-2-yl)methanone?
The canonical SMILES for (3-amino-5-pyridin-2-yl-1,2,4-triazol-4-yl)-(1-methylindol-2-yl)methanone is Cn1c(C(=O)n2c(N)nnc2-c2ccccn2)cc2ccccc21.
What is the InChIKey of (3-amino-5-pyridin-2-yl-1,2,4-triazol-4-yl)-(1-methylindol-2-yl)methanone?
The InChIKey is FGCYVNMLNJMICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c1-22-13-8-3-2-6-11(13)10-14(22)16(24)23-15(20-21-17(23)18)12-7-4-5-9-19-12/h2-10H,1H3,(H2,18,21).
What are the key properties of (3-amino-5-pyridin-2-yl-1,2,4-triazol-4-yl)-(1-methylindol-2-yl)methanone?
(3-amino-5-pyridin-2-yl-1,2,4-triazol-4-yl)-(1-methylindol-2-yl)methanone has a molecular weight of 318.34 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-pyridin-2-yl-1,2,4-triazol-4-yl)-(1-methylindol-2-yl)methanone is sourced from PubChem (CID 166399893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).