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

C10H21N5O2 — CID 82952891

IUPAC3-N,3-N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCCOCCN(CCOCC)c1n[nH]c(N)n1
InChIInChI=1S/C10H21N5O2/c1-3-16-7-5-15(6-8-17-4-2)10-12-9(11)13-14-10/h3-8H2,1-2H3,(H3,11,12,13,14)
InChIKeyUOSKMLQLXWEUOB-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.27
Rot. Bonds9

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

3-N,3-N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 82952891) has the molecular formula C10H21N5O2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-N,3-N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N,3-N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID82952891
Molecular FormulaC10H21N5O2
Molecular Weight243.31 g/mol
Exact Mass243.17
IUPAC Name3-N,3-N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCCOCCN(CCOCC)c1n[nH]c(N)n1
InChIInChI=1S/C10H21N5O2/c1-3-16-7-5-15(6-8-17-4-2)10-12-9(11)13-14-10/h3-8H2,1-2H3,(H3,11,12,13,14)
InChIKeyUOSKMLQLXWEUOB-UHFFFAOYSA-N
XLogP0.27
TPSA89.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.27
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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Related Compounds

3-N,3-N-diethyl-1H-1,2,4-triazole-3,5-diamine
CID 14547509
3-N-ethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
CID 66277105
2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80833994
2-[(5-amino-1H-1,2,4-triazol-3-yl)-ethylamino]-N,N-dimethylacetamide
CID 66277129
5-N,5-N-bis(2-ethoxyethyl)-1,2,4-thiadiazole-3,5-diamine
CID 82952969
3-amino-N,N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-5-carboxamide
CID 82966075
2-N,2-N-bis(2-ethoxyethyl)pyrazine-2,6-diamine
CID 82952490
N-(2-ethoxyethyl)-5-ethyl-N-methyl-1H-1,2,4-triazole-3-carboxamide
CID 81061713
6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 63692736
6-chloro-4-N,4-N-bis(2-ethoxyethyl)pyrimidine-2,4-diamine
CID 82961160
3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine
CID 82965351
6-N-(2-ethoxyethyl)-6-N-ethylpyridine-2,6-diamine
CID 80653424

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N,3-N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-3,5-diamine (CID 82952891) is 3-N,3-N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N,3-N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N,3-N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-3,5-diamine is CCOCCN(CCOCC)c1n[nH]c(N)n1.
What is the InChIKey of 3-N,3-N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is UOSKMLQLXWEUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O2/c1-3-16-7-5-15(6-8-17-4-2)10-12-9(11)13-14-10/h3-8H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 3-N,3-N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-3,5-diamine?
3-N,3-N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 243.31 g/mol, XLogP of 0.27, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 82952891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).