3-N,4-diethyl-1,2,4-triazole-3,5-diamine

C6H13N5 — CID 112597568

IUPAC3-N,4-diethyl-1,2,4-triazole-3,5-diamine
SMILESCCNc1nnc(N)n1CC
InChIInChI=1S/C6H13N5/c1-3-8-6-10-9-5(7)11(6)4-2/h3-4H2,1-2H3,(H2,7,9)(H,8,10)
InChIKeyHVXIWJIPBSHEIJ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.31
Rot. Bonds3

About 3-N,4-diethyl-1,2,4-triazole-3,5-diamine

3-N,4-diethyl-1,2,4-triazole-3,5-diamine (PubChem CID 112597568) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-N,4-diethyl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N,4-diethyl-1,2,4-triazole-3,5-diamine
PubChem CID112597568
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC Name3-N,4-diethyl-1,2,4-triazole-3,5-diamine
SMILESCCNc1nnc(N)n1CC
InChIInChI=1S/C6H13N5/c1-3-8-6-10-9-5(7)11(6)4-2/h3-4H2,1-2H3,(H2,7,9)(H,8,10)
InChIKeyHVXIWJIPBSHEIJ-UHFFFAOYSA-N
XLogP0.31
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N,4-diethyl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N,4-diethyl-1,2,4-triazole-3,5-diamine (CID 112597568) is 3-N,4-diethyl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N,4-diethyl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N,4-diethyl-1,2,4-triazole-3,5-diamine is CCNc1nnc(N)n1CC.
What is the InChIKey of 3-N,4-diethyl-1,2,4-triazole-3,5-diamine?
The InChIKey is HVXIWJIPBSHEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5/c1-3-8-6-10-9-5(7)11(6)4-2/h3-4H2,1-2H3,(H2,7,9)(H,8,10).
What are the key properties of 3-N,4-diethyl-1,2,4-triazole-3,5-diamine?
3-N,4-diethyl-1,2,4-triazole-3,5-diamine has a molecular weight of 155.20 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-diethyl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 112597568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).