1-(1-ethoxyethyl)-1,2,4-triazole-3-carboxamide

C7H12N4O2 — CID 21498942

IUPAC1-(1-ethoxyethyl)-1,2,4-triazole-3-carboxamide
SMILESCCOC(C)n1cnc(C(N)=O)n1
InChIInChI=1S/C7H12N4O2/c1-3-13-5(2)11-4-9-7(10-11)6(8)12/h4-5H,3H2,1-2H3,(H2,8,12)
InChIKeyNYMFNSGBZLNMDJ-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.07
Rot. Bonds4

About 1-(1-ethoxyethyl)-1,2,4-triazole-3-carboxamide

1-(1-ethoxyethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 21498942) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 1-(1-ethoxyethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(1-ethoxyethyl)-1,2,4-triazole-3-carboxamide
PubChem CID21498942
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name1-(1-ethoxyethyl)-1,2,4-triazole-3-carboxamide
SMILESCCOC(C)n1cnc(C(N)=O)n1
InChIInChI=1S/C7H12N4O2/c1-3-13-5(2)11-4-9-7(10-11)6(8)12/h4-5H,3H2,1-2H3,(H2,8,12)
InChIKeyNYMFNSGBZLNMDJ-UHFFFAOYSA-N
XLogP-0.07
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(1-ethoxyethyl)-1,2,4-triazole-3-carboxamide (CID 21498942) is 1-(1-ethoxyethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(1-ethoxyethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(1-ethoxyethyl)-1,2,4-triazole-3-carboxamide is CCOC(C)n1cnc(C(N)=O)n1.
What is the InChIKey of 1-(1-ethoxyethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is NYMFNSGBZLNMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-3-13-5(2)11-4-9-7(10-11)6(8)12/h4-5H,3H2,1-2H3,(H2,8,12).
What are the key properties of 1-(1-ethoxyethyl)-1,2,4-triazole-3-carboxamide?
1-(1-ethoxyethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 184.20 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 21498942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).