3-amino-N,N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-5-carboxamide

C11H21N5O3 — CID 82966075

IUPAC3-amino-N,N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCOCCN(CCOCC)C(=O)c1nc(N)n[nH]1
InChIInChI=1S/C11H21N5O3/c1-3-18-7-5-16(6-8-19-4-2)10(17)9-13-11(12)15-14-9/h3-8H2,1-2H3,(H3,12,13,14,15)
InChIKeyRNFCWINHHRPYLR-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.10
Rot. Bonds9

About 3-amino-N,N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N,N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 82966075) has the molecular formula C11H21N5O3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-amino-N,N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID82966075
Molecular FormulaC11H21N5O3
Molecular Weight271.32 g/mol
Exact Mass271.16
IUPAC Name3-amino-N,N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCOCCN(CCOCC)C(=O)c1nc(N)n[nH]1
InChIInChI=1S/C11H21N5O3/c1-3-18-7-5-16(6-8-19-4-2)10(17)9-13-11(12)15-14-9/h3-8H2,1-2H3,(H3,12,13,14,15)
InChIKeyRNFCWINHHRPYLR-UHFFFAOYSA-N
XLogP-0.10
TPSA106.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N,N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-5-carboxamide (CID 82966075) is 3-amino-N,N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N,N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N,N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-5-carboxamide is CCOCCN(CCOCC)C(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N,N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is RNFCWINHHRPYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3/c1-3-18-7-5-16(6-8-19-4-2)10(17)9-13-11(12)15-14-9/h3-8H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 3-amino-N,N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N,N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 271.32 g/mol, XLogP of -0.10, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 82966075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).