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

C10H19N5 — CID 58976455

IUPAC1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine
SMILESCCNc1nc(N)nn1C1CCCCC1
InChIInChI=1S/C10H19N5/c1-2-12-10-13-9(11)14-15(10)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H3,11,12,13,14)
InChIKeyVKLVERBFCCLNPW-UHFFFAOYSA-N
MW209.30 g/mol
LogP1.80
Rot. Bonds3

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

1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine (PubChem CID 58976455) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine
PubChem CID58976455
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine
SMILESCCNc1nc(N)nn1C1CCCCC1
InChIInChI=1S/C10H19N5/c1-2-12-10-13-9(11)14-15(10)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H3,11,12,13,14)
InChIKeyVKLVERBFCCLNPW-UHFFFAOYSA-N
XLogP1.80
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine (CID 58976455) is 1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine is CCNc1nc(N)nn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine?
The InChIKey is VKLVERBFCCLNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-2-12-10-13-9(11)14-15(10)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H3,11,12,13,14).
What are the key properties of 1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine?
1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine has a molecular weight of 209.30 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 58976455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).