3-N-methyl-3-N-(2-methylcyclohexyl)-1H-1,2,4-triazole-3,5-diamine

C10H19N5 — CID 66274935

IUPAC3-N-methyl-3-N-(2-methylcyclohexyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCC1CCCCC1N(C)c1n[nH]c(N)n1
InChIInChI=1S/C10H19N5/c1-7-5-3-4-6-8(7)15(2)10-12-9(11)13-14-10/h7-8H,3-6H2,1-2H3,(H3,11,12,13,14)
InChIKeyDJAPUBJQXHEKJZ-UHFFFAOYSA-N
MW209.30 g/mol
LogP1.40
Rot. Bonds2

About 3-N-methyl-3-N-(2-methylcyclohexyl)-1H-1,2,4-triazole-3,5-diamine

3-N-methyl-3-N-(2-methylcyclohexyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 66274935) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 3-N-methyl-3-N-(2-methylcyclohexyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(2-methylcyclohexyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID66274935
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name3-N-methyl-3-N-(2-methylcyclohexyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCC1CCCCC1N(C)c1n[nH]c(N)n1
InChIInChI=1S/C10H19N5/c1-7-5-3-4-6-8(7)15(2)10-12-9(11)13-14-10/h7-8H,3-6H2,1-2H3,(H3,11,12,13,14)
InChIKeyDJAPUBJQXHEKJZ-UHFFFAOYSA-N
XLogP1.40
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(2-methylcyclohexyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-methyl-3-N-(2-methylcyclohexyl)-1H-1,2,4-triazole-3,5-diamine (CID 66274935) is 3-N-methyl-3-N-(2-methylcyclohexyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(2-methylcyclohexyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-methyl-3-N-(2-methylcyclohexyl)-1H-1,2,4-triazole-3,5-diamine is CC1CCCCC1N(C)c1n[nH]c(N)n1.
What is the InChIKey of 3-N-methyl-3-N-(2-methylcyclohexyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is DJAPUBJQXHEKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-7-5-3-4-6-8(7)15(2)10-12-9(11)13-14-10/h7-8H,3-6H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 3-N-methyl-3-N-(2-methylcyclohexyl)-1H-1,2,4-triazole-3,5-diamine?
3-N-methyl-3-N-(2-methylcyclohexyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 209.30 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(2-methylcyclohexyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 66274935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).