(1,7-dimethylindol-2-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone

C17H20N6O — CID 118763779

IUPAC(1,7-dimethylindol-2-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
SMILESCc1cccc2cc(C(=O)N3CCN(c4ncn[nH]4)CC3)n(C)c12
InChIInChI=1S/C17H20N6O/c1-12-4-3-5-13-10-14(21(2)15(12)13)16(24)22-6-8-23(9-7-22)17-18-11-19-20-17/h3-5,10-11H,6-9H2,1-2H3,(H,18,19,20)
InChIKeyXTQTZLUYZSKENG-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.57
Rot. Bonds2

About (1,7-dimethylindol-2-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone

(1,7-dimethylindol-2-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone (PubChem CID 118763779) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is (1,7-dimethylindol-2-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1,7-dimethylindol-2-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
PubChem CID118763779
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name(1,7-dimethylindol-2-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
SMILESCc1cccc2cc(C(=O)N3CCN(c4ncn[nH]4)CC3)n(C)c12
InChIInChI=1S/C17H20N6O/c1-12-4-3-5-13-10-14(21(2)15(12)13)16(24)22-6-8-23(9-7-22)17-18-11-19-20-17/h3-5,10-11H,6-9H2,1-2H3,(H,18,19,20)
InChIKeyXTQTZLUYZSKENG-UHFFFAOYSA-N
XLogP1.57
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4,4-difluoropiperidin-1-yl)-(1,7-dimethylindol-2-yl)methanone
CID 72848626
(1,7-dimethylindol-2-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
CID 131928377
(7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 110849758
5-methyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146044273
ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate
CID 110853989
4-methyl-1-(1-phenylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]pyridin-2-one
CID 172664690
(1,7-dimethylindol-2-yl)-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 72888830
(2S)-1-pyrrolidin-1-yl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
CID 124756386
(1,7-dimethylindol-2-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97148687
3-(1-methylpyrrol-2-yl)-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
CID 118789724
(1-methylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 7329083
2,4-dimethyl-6-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyrimidine
CID 126823467

Frequently Asked Questions

What is the IUPAC name of (1,7-dimethylindol-2-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (1,7-dimethylindol-2-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone (CID 118763779) is (1,7-dimethylindol-2-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (1,7-dimethylindol-2-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (1,7-dimethylindol-2-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone is Cc1cccc2cc(C(=O)N3CCN(c4ncn[nH]4)CC3)n(C)c12.
What is the InChIKey of (1,7-dimethylindol-2-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is XTQTZLUYZSKENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12-4-3-5-13-10-14(21(2)15(12)13)16(24)22-6-8-23(9-7-22)17-18-11-19-20-17/h3-5,10-11H,6-9H2,1-2H3,(H,18,19,20).
What are the key properties of (1,7-dimethylindol-2-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone?
(1,7-dimethylindol-2-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 324.39 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7-dimethylindol-2-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 118763779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).