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7-(4,4-dimethylcyclohexanecarbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide

C16H25N5O2 — CID 154761792

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC7-(4,4-dimethylcyclohexanecarbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
SMILESCc1nnc2n1CC(C(N)=O)N(C(=O)C1CCC(C)(C)CC1)C2
InChIInChI=1S/C16H25N5O2/c1-10-18-19-13-9-21(12(14(17)22)8-20(10)13)15(23)11-4-6-16(2,3)7-5-11/h11-12H,4-9H2,1-3H3,(H2,17,22)
InChIKeyQQIMVKSMVVSSRH-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.00
Rot. Bonds2

About 7-(4,4-dimethylcyclohexanecarbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide

7-(4,4-dimethylcyclohexanecarbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide (PubChem CID 154761792) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 7-(4,4-dimethylcyclohexanecarbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-(4,4-dimethylcyclohexanecarbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
PubChem CID154761792
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name7-(4,4-dimethylcyclohexanecarbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
SMILESCc1nnc2n1CC(C(N)=O)N(C(=O)C1CCC(C)(C)CC1)C2
InChIInChI=1S/C16H25N5O2/c1-10-18-19-13-9-21(12(14(17)22)8-20(10)13)15(23)11-4-6-16(2,3)7-5-11/h11-12H,4-9H2,1-3H3,(H2,17,22)
InChIKeyQQIMVKSMVVSSRH-UHFFFAOYSA-N
XLogP1.00
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4,4-dimethylcyclohexanecarbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The IUPAC name of 7-(4,4-dimethylcyclohexanecarbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide (CID 154761792) is 7-(4,4-dimethylcyclohexanecarbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide.
What is the SMILES notation for 7-(4,4-dimethylcyclohexanecarbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The canonical SMILES for 7-(4,4-dimethylcyclohexanecarbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide is Cc1nnc2n1CC(C(N)=O)N(C(=O)C1CCC(C)(C)CC1)C2.
What is the InChIKey of 7-(4,4-dimethylcyclohexanecarbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The InChIKey is QQIMVKSMVVSSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-10-18-19-13-9-21(12(14(17)22)8-20(10)13)15(23)11-4-6-16(2,3)7-5-11/h11-12H,4-9H2,1-3H3,(H2,17,22).
What are the key properties of 7-(4,4-dimethylcyclohexanecarbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
7-(4,4-dimethylcyclohexanecarbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,4-dimethylcyclohexanecarbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide is sourced from PubChem (CID 154761792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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