3-N-ethyl-1H-1,2,4-triazole-3,5-diamine

C4H9N5 — CID 13045202

IUPAC3-N-ethyl-1H-1,2,4-triazole-3,5-diamine
SMILESCCNc1n[nH]c(N)n1
InChIInChI=1S/C4H9N5/c1-2-6-4-7-3(5)8-9-4/h2H2,1H3,(H4,5,6,7,8,9)
InChIKeyINXLBBMSXGKPRE-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.18
Rot. Bonds2

About 3-N-ethyl-1H-1,2,4-triazole-3,5-diamine

3-N-ethyl-1H-1,2,4-triazole-3,5-diamine (PubChem CID 13045202) has the molecular formula C4H9N5 and a molecular weight of 127.15 g/mol. Its IUPAC name is 3-N-ethyl-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-1H-1,2,4-triazole-3,5-diamine
PubChem CID13045202
Molecular FormulaC4H9N5
Molecular Weight127.15 g/mol
Exact Mass127.09
IUPAC Name3-N-ethyl-1H-1,2,4-triazole-3,5-diamine
SMILESCCNc1n[nH]c(N)n1
InChIInChI=1S/C4H9N5/c1-2-6-4-7-3(5)8-9-4/h2H2,1H3,(H4,5,6,7,8,9)
InChIKeyINXLBBMSXGKPRE-UHFFFAOYSA-N
XLogP-0.18
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-ethyl-1H-1,2,4-triazole-3,5-diamine (CID 13045202) is 3-N-ethyl-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-ethyl-1H-1,2,4-triazole-3,5-diamine is CCNc1n[nH]c(N)n1.
What is the InChIKey of 3-N-ethyl-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is INXLBBMSXGKPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5/c1-2-6-4-7-3(5)8-9-4/h2H2,1H3,(H4,5,6,7,8,9).
What are the key properties of 3-N-ethyl-1H-1,2,4-triazole-3,5-diamine?
3-N-ethyl-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 127.15 g/mol, XLogP of -0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 13045202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).