N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide

C11H17N7O3 — CID 157016114

IUPACN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCOCCn1cnnc1CCNC(=O)c1nn(C)c(=O)[nH]1
InChIInChI=1S/C11H17N7O3/c1-17-11(20)14-9(16-17)10(19)12-4-3-8-15-13-7-18(8)5-6-21-2/h7H,3-6H2,1-2H3,(H,12,19)(H,14,16,20)
InChIKeyNQHYXNLSTLLEQO-UHFFFAOYSA-N
MW295.30 g/mol
LogP-1.68
Rot. Bonds7

About N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide

N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide (PubChem CID 157016114) has the molecular formula C11H17N7O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
PubChem CID157016114
Molecular FormulaC11H17N7O3
Molecular Weight295.30 g/mol
Exact Mass295.14
IUPAC NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCOCCn1cnnc1CCNC(=O)c1nn(C)c(=O)[nH]1
InChIInChI=1S/C11H17N7O3/c1-17-11(20)14-9(16-17)10(19)12-4-3-8-15-13-7-18(8)5-6-21-2/h7H,3-6H2,1-2H3,(H,12,19)(H,14,16,20)
InChIKeyNQHYXNLSTLLEQO-UHFFFAOYSA-N
XLogP-1.68
TPSA119.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide (CID 157016114) is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide is COCCn1cnnc1CCNC(=O)c1nn(C)c(=O)[nH]1.
What is the InChIKey of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The InChIKey is NQHYXNLSTLLEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O3/c1-17-11(20)14-9(16-17)10(19)12-4-3-8-15-13-7-18(8)5-6-21-2/h7H,3-6H2,1-2H3,(H,12,19)(H,14,16,20).
What are the key properties of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of -1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 157016114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).