ethane;1-ethyl-3-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3,5-diamine

C11H23N5O — CID 90701567

IUPACethane;1-ethyl-3-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3,5-diamine
SMILESCC.CCn1nc(NCC2CCCO2)nc1N
InChIInChI=1S/C9H17N5O.C2H6/c1-2-14-8(10)12-9(13-14)11-6-7-4-3-5-15-7;1-2/h7H,2-6H2,1H3,(H3,10,11,12,13);1-2H3
InChIKeyKCNQNWUZVUBWHS-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.50
Rot. Bonds4

About ethane;1-ethyl-3-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3,5-diamine

ethane;1-ethyl-3-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3,5-diamine (PubChem CID 90701567) has the molecular formula C11H23N5O and a molecular weight of 241.34 g/mol. Its IUPAC name is ethane;1-ethyl-3-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Nameethane;1-ethyl-3-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3,5-diamine
PubChem CID90701567
Molecular FormulaC11H23N5O
Molecular Weight241.34 g/mol
Exact Mass241.19
IUPAC Nameethane;1-ethyl-3-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3,5-diamine
SMILESCC.CCn1nc(NCC2CCCO2)nc1N
InChIInChI=1S/C9H17N5O.C2H6/c1-2-14-8(10)12-9(13-14)11-6-7-4-3-5-15-7;1-2/h7H,2-6H2,1H3,(H3,10,11,12,13);1-2H3
InChIKeyKCNQNWUZVUBWHS-UHFFFAOYSA-N
XLogP1.50
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethane;1-ethyl-3-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3,5-diamine?
The IUPAC name of ethane;1-ethyl-3-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3,5-diamine (CID 90701567) is ethane;1-ethyl-3-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for ethane;1-ethyl-3-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3,5-diamine?
The canonical SMILES for ethane;1-ethyl-3-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3,5-diamine is CC.CCn1nc(NCC2CCCO2)nc1N.
What is the InChIKey of ethane;1-ethyl-3-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3,5-diamine?
The InChIKey is KCNQNWUZVUBWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O.C2H6/c1-2-14-8(10)12-9(13-14)11-6-7-4-3-5-15-7;1-2/h7H,2-6H2,1H3,(H3,10,11,12,13);1-2H3.
What are the key properties of ethane;1-ethyl-3-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3,5-diamine?
ethane;1-ethyl-3-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3,5-diamine has a molecular weight of 241.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 90701567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).