[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(thiadiazol-4-yl)methanone

C16H15N7O2S — CID 4984386

IUPAC[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(thiadiazol-4-yl)methanone
SMILESCc1nn(-c2ccccc2)nc1C(=O)N1CCCN1C(=O)c1csnn1
InChIInChI=1S/C16H15N7O2S/c1-11-14(19-23(18-11)12-6-3-2-4-7-12)16(25)22-9-5-8-21(22)15(24)13-10-26-20-17-13/h2-4,6-7,10H,5,8-9H2,1H3
InChIKeyPCJWWBAXVTWBHX-UHFFFAOYSA-N
MW369.41 g/mol
LogP1.33
Rot. Bonds3

About [2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(thiadiazol-4-yl)methanone

[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(thiadiazol-4-yl)methanone (PubChem CID 4984386) has the molecular formula C16H15N7O2S and a molecular weight of 369.41 g/mol. Its IUPAC name is [2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(thiadiazol-4-yl)methanone
PubChem CID4984386
Molecular FormulaC16H15N7O2S
Molecular Weight369.41 g/mol
Exact Mass369.10
IUPAC Name[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(thiadiazol-4-yl)methanone
SMILESCc1nn(-c2ccccc2)nc1C(=O)N1CCCN1C(=O)c1csnn1
InChIInChI=1S/C16H15N7O2S/c1-11-14(19-23(18-11)12-6-3-2-4-7-12)16(25)22-9-5-8-21(22)15(24)13-10-26-20-17-13/h2-4,6-7,10H,5,8-9H2,1H3
InChIKeyPCJWWBAXVTWBHX-UHFFFAOYSA-N
XLogP1.33
TPSA97.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2,2-dimethyl-1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one
CID 3728006
[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 3698286
3-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-3-oxopropanenitrile
CID 3681571
3-ethoxy-1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one
CID 3856805
(1-benzoylpiperidin-4-yl)-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]methanone
CID 3804993
1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 3684298
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 56821404
[(3S)-3-ethoxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 95582789
[4-(3-methylphenyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 27049072
(5-methyl-2-phenyltriazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95307308
(5-methyl-2-phenyltriazol-4-yl)-(2-methylsulfanyl-5,6-dihydro-4H-pyrimidin-1-yl)methanone
CID 2799321
(2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone
CID 30752856

Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(thiadiazol-4-yl)methanone?
The IUPAC name of [2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(thiadiazol-4-yl)methanone (CID 4984386) is [2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(thiadiazol-4-yl)methanone.
What is the SMILES notation for [2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(thiadiazol-4-yl)methanone?
The canonical SMILES for [2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(thiadiazol-4-yl)methanone is Cc1nn(-c2ccccc2)nc1C(=O)N1CCCN1C(=O)c1csnn1.
What is the InChIKey of [2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(thiadiazol-4-yl)methanone?
The InChIKey is PCJWWBAXVTWBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O2S/c1-11-14(19-23(18-11)12-6-3-2-4-7-12)16(25)22-9-5-8-21(22)15(24)13-10-26-20-17-13/h2-4,6-7,10H,5,8-9H2,1H3.
What are the key properties of [2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(thiadiazol-4-yl)methanone?
[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(thiadiazol-4-yl)methanone has a molecular weight of 369.41 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 4984386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).