N-[4-(tert-butylcarbamoyl)cyclohexyl]-2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C18H26N6O3 — CID 169410869

IUPACN-[4-(tert-butylcarbamoyl)cyclohexyl]-2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nc2ncc(C(=O)NC3CCC(C(=O)NC(C)(C)C)CC3)c(=O)n2[nH]1
InChIInChI=1S/C18H26N6O3/c1-10-20-17-19-9-13(16(27)24(17)23-10)15(26)21-12-7-5-11(6-8-12)14(25)22-18(2,3)4/h9,11-12H,5-8H2,1-4H3,(H,21,26)(H,22,25)(H,19,20,23)
InChIKeyGQMBXFRZEIXNLE-UHFFFAOYSA-N
MW374.45 g/mol
LogP0.93
Rot. Bonds3

About N-[4-(tert-butylcarbamoyl)cyclohexyl]-2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

N-[4-(tert-butylcarbamoyl)cyclohexyl]-2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 169410869) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[4-(tert-butylcarbamoyl)cyclohexyl]-2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(tert-butylcarbamoyl)cyclohexyl]-2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID169410869
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC NameN-[4-(tert-butylcarbamoyl)cyclohexyl]-2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nc2ncc(C(=O)NC3CCC(C(=O)NC(C)(C)C)CC3)c(=O)n2[nH]1
InChIInChI=1S/C18H26N6O3/c1-10-20-17-19-9-13(16(27)24(17)23-10)15(26)21-12-7-5-11(6-8-12)14(25)22-18(2,3)4/h9,11-12H,5-8H2,1-4H3,(H,21,26)(H,22,25)(H,19,20,23)
InChIKeyGQMBXFRZEIXNLE-UHFFFAOYSA-N
XLogP0.93
TPSA121.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylcarbamoyl)cyclohexyl]-2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[4-(tert-butylcarbamoyl)cyclohexyl]-2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 169410869) is N-[4-(tert-butylcarbamoyl)cyclohexyl]-2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[4-(tert-butylcarbamoyl)cyclohexyl]-2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[4-(tert-butylcarbamoyl)cyclohexyl]-2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is Cc1nc2ncc(C(=O)NC3CCC(C(=O)NC(C)(C)C)CC3)c(=O)n2[nH]1.
What is the InChIKey of N-[4-(tert-butylcarbamoyl)cyclohexyl]-2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is GQMBXFRZEIXNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-10-20-17-19-9-13(16(27)24(17)23-10)15(26)21-12-7-5-11(6-8-12)14(25)22-18(2,3)4/h9,11-12H,5-8H2,1-4H3,(H,21,26)(H,22,25)(H,19,20,23).
What are the key properties of N-[4-(tert-butylcarbamoyl)cyclohexyl]-2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N-[4-(tert-butylcarbamoyl)cyclohexyl]-2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylcarbamoyl)cyclohexyl]-2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 169410869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).