[4-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone

C17H25N7O — CID 131905619

IUPAC[4-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCC(NC1CCN(C(=O)c2cnccn2)CC1)c1nncn1C(C)C
InChIInChI=1S/C17H25N7O/c1-12(2)24-11-20-22-16(24)13(3)21-14-4-8-23(9-5-14)17(25)15-10-18-6-7-19-15/h6-7,10-14,21H,4-5,8-9H2,1-3H3
InChIKeyUKAWIMJMZLRNCQ-UHFFFAOYSA-N
MW343.44 g/mol
LogP1.60
Rot. Bonds5

About [4-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone

[4-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 131905619) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is [4-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID131905619
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name[4-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCC(NC1CCN(C(=O)c2cnccn2)CC1)c1nncn1C(C)C
InChIInChI=1S/C17H25N7O/c1-12(2)24-11-20-22-16(24)13(3)21-14-4-8-23(9-5-14)17(25)15-10-18-6-7-19-15/h6-7,10-14,21H,4-5,8-9H2,1-3H3
InChIKeyUKAWIMJMZLRNCQ-UHFFFAOYSA-N
XLogP1.60
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone with MolForge

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Related Compounds

[4-[1-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 56704132
2,2-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 110821253
(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
CID 110744031
[4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 99702778
[4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 165419586
N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-3-pyrazin-2-ylpropanamide
CID 126436988
N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821254
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566849
3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 108566868
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108554177
N-[4-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108566860
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 131905619) is [4-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone is CC(NC1CCN(C(=O)c2cnccn2)CC1)c1nncn1C(C)C.
What is the InChIKey of [4-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is UKAWIMJMZLRNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-12(2)24-11-20-22-16(24)13(3)21-14-4-8-23(9-5-14)17(25)15-10-18-6-7-19-15/h6-7,10-14,21H,4-5,8-9H2,1-3H3.
What are the key properties of [4-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 343.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 131905619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).