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

C9H19N5 — CID 59882788

IUPAC3-N,5-N,5-N-triethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
SMILESCCN(C)c1n[nH]c(N(CC)CC)n1
InChIInChI=1S/C9H19N5/c1-5-13(4)8-10-9(12-11-8)14(6-2)7-3/h5-7H2,1-4H3,(H,10,11,12)
InChIKeyRYKVLMZCJGWRJK-UHFFFAOYSA-N
MW197.29 g/mol
LogP1.11
Rot. Bonds5

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

3-N,5-N,5-N-triethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine (PubChem CID 59882788) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 3-N,5-N,5-N-triethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N,5-N,5-N-triethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
PubChem CID59882788
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name3-N,5-N,5-N-triethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
SMILESCCN(C)c1n[nH]c(N(CC)CC)n1
InChIInChI=1S/C9H19N5/c1-5-13(4)8-10-9(12-11-8)14(6-2)7-3/h5-7H2,1-4H3,(H,10,11,12)
InChIKeyRYKVLMZCJGWRJK-UHFFFAOYSA-N
XLogP1.11
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N,5-N,5-N-triethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N,5-N,5-N-triethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine (CID 59882788) is 3-N,5-N,5-N-triethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N,5-N,5-N-triethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N,5-N,5-N-triethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine is CCN(C)c1n[nH]c(N(CC)CC)n1.
What is the InChIKey of 3-N,5-N,5-N-triethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is RYKVLMZCJGWRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-5-13(4)8-10-9(12-11-8)14(6-2)7-3/h5-7H2,1-4H3,(H,10,11,12).
What are the key properties of 3-N,5-N,5-N-triethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
3-N,5-N,5-N-triethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 197.29 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N,5-N-triethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 59882788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).