1,4-dimethyl-N-[1-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propyl]cyclohexane-1-carboxamide

C19H26N4O2S — CID 135787922

IUPAC1,4-dimethyl-N-[1-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propyl]cyclohexane-1-carboxamide
SMILESCCC(NC(=O)C1(C)CCC(C)CC1)c1nnc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C19H26N4O2S/c1-4-13(20-18(25)19(3)9-7-12(2)8-10-19)15-17(24)21-16(23-22-15)14-6-5-11-26-14/h5-6,11-13H,4,7-10H2,1-3H3,(H,20,25)(H,21,23,24)
InChIKeyMEJUUJJQOCLLCE-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.68
Rot. Bonds5

About 1,4-dimethyl-N-[1-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propyl]cyclohexane-1-carboxamide

1,4-dimethyl-N-[1-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propyl]cyclohexane-1-carboxamide (PubChem CID 135787922) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1,4-dimethyl-N-[1-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1,4-dimethyl-N-[1-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propyl]cyclohexane-1-carboxamide
PubChem CID135787922
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name1,4-dimethyl-N-[1-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propyl]cyclohexane-1-carboxamide
SMILESCCC(NC(=O)C1(C)CCC(C)CC1)c1nnc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C19H26N4O2S/c1-4-13(20-18(25)19(3)9-7-12(2)8-10-19)15-17(24)21-16(23-22-15)14-6-5-11-26-14/h5-6,11-13H,4,7-10H2,1-3H3,(H,20,25)(H,21,23,24)
InChIKeyMEJUUJJQOCLLCE-UHFFFAOYSA-N
XLogP3.68
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[1-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 1,4-dimethyl-N-[1-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propyl]cyclohexane-1-carboxamide (CID 135787922) is 1,4-dimethyl-N-[1-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1,4-dimethyl-N-[1-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1,4-dimethyl-N-[1-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propyl]cyclohexane-1-carboxamide is CCC(NC(=O)C1(C)CCC(C)CC1)c1nnc(-c2cccs2)[nH]c1=O.
What is the InChIKey of 1,4-dimethyl-N-[1-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propyl]cyclohexane-1-carboxamide?
The InChIKey is MEJUUJJQOCLLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-4-13(20-18(25)19(3)9-7-12(2)8-10-19)15-17(24)21-16(23-22-15)14-6-5-11-26-14/h5-6,11-13H,4,7-10H2,1-3H3,(H,20,25)(H,21,23,24).
What are the key properties of 1,4-dimethyl-N-[1-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propyl]cyclohexane-1-carboxamide?
1,4-dimethyl-N-[1-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propyl]cyclohexane-1-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[1-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 135787922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).