[6-[1-(4-propyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C16H23N7O — CID 134701602

IUPAC[6-[1-(4-propyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCCCn1cnnc1C(C)Nc1cncc(C(=O)N2CCCC2)n1
InChIInChI=1S/C16H23N7O/c1-3-6-23-11-18-21-15(23)12(2)19-14-10-17-9-13(20-14)16(24)22-7-4-5-8-22/h9-12H,3-8H2,1-2H3,(H,19,20)
InChIKeyCCGUNMKWFNNTBM-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.89
Rot. Bonds6

About [6-[1-(4-propyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[6-[1-(4-propyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134701602) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is [6-[1-(4-propyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[1-(4-propyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID134701602
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name[6-[1-(4-propyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCCCn1cnnc1C(C)Nc1cncc(C(=O)N2CCCC2)n1
InChIInChI=1S/C16H23N7O/c1-3-6-23-11-18-21-15(23)12(2)19-14-10-17-9-13(20-14)16(24)22-7-4-5-8-22/h9-12H,3-8H2,1-2H3,(H,19,20)
InChIKeyCCGUNMKWFNNTBM-UHFFFAOYSA-N
XLogP1.89
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6-[1-(4-propyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

Hsr 6071
CID 159466
2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,1-dimethylimidazole-4-carboxamide
CID 165415160
2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N,1-trimethylimidazole-4-carboxamide
CID 165415122
(3-Aminopyrazin-2-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53608906
1H-imidazol-5-yl-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 53612757
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 72043991
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone
CID 72127418
(2-propan-2-yl-1H-imidazol-5-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72128796
2-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1H-imidazole-5-carboxamide
CID 72137120
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 72141944
1H-imidazol-5-yl-[3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 72141976
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 72142910

Frequently Asked Questions

What is the IUPAC name of [6-[1-(4-propyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[1-(4-propyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 134701602) is [6-[1-(4-propyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[1-(4-propyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[1-(4-propyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is CCCn1cnnc1C(C)Nc1cncc(C(=O)N2CCCC2)n1.
What is the InChIKey of [6-[1-(4-propyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is CCGUNMKWFNNTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-3-6-23-11-18-21-15(23)12(2)19-14-10-17-9-13(20-14)16(24)22-7-4-5-8-22/h9-12H,3-8H2,1-2H3,(H,19,20).
What are the key properties of [6-[1-(4-propyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[6-[1-(4-propyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 329.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-(4-propyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134701602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).