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

C5H11N5 — CID 66277105

IUPAC3-N-ethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
SMILESCCN(C)c1n[nH]c(N)n1
InChIInChI=1S/C5H11N5/c1-3-10(2)5-7-4(6)8-9-5/h3H2,1-2H3,(H3,6,7,8,9)
InChIKeyCUFNUUWFPDMDEK-UHFFFAOYSA-N
MW141.18 g/mol
LogP-0.16
Rot. Bonds2

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

3-N-ethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine (PubChem CID 66277105) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is 3-N-ethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
PubChem CID66277105
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC Name3-N-ethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
SMILESCCN(C)c1n[nH]c(N)n1
InChIInChI=1S/C5H11N5/c1-3-10(2)5-7-4(6)8-9-5/h3H2,1-2H3,(H3,6,7,8,9)
InChIKeyCUFNUUWFPDMDEK-UHFFFAOYSA-N
XLogP-0.16
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-ethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine (CID 66277105) is 3-N-ethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-ethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine is CCN(C)c1n[nH]c(N)n1.
What is the InChIKey of 3-N-ethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is CUFNUUWFPDMDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c1-3-10(2)5-7-4(6)8-9-5/h3H2,1-2H3,(H3,6,7,8,9).
What are the key properties of 3-N-ethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
3-N-ethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 141.18 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 66277105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).