5-(1-amino-4-ethylcyclohexyl)-1H-1,2,4-triazol-3-amine

C10H19N5 — CID 61319754

IUPAC5-(1-amino-4-ethylcyclohexyl)-1H-1,2,4-triazol-3-amine
SMILESCCC1CCC(N)(c2nc(N)n[nH]2)CC1
InChIInChI=1S/C10H19N5/c1-2-7-3-5-10(12,6-4-7)8-13-9(11)15-14-8/h7H,2-6,12H2,1H3,(H3,11,13,14,15)
InChIKeyGUXINVLPRIIFKJ-UHFFFAOYSA-N
MW209.30 g/mol
LogP1.14
Rot. Bonds2

About 5-(1-amino-4-ethylcyclohexyl)-1H-1,2,4-triazol-3-amine

5-(1-amino-4-ethylcyclohexyl)-1H-1,2,4-triazol-3-amine (PubChem CID 61319754) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 5-(1-amino-4-ethylcyclohexyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(1-amino-4-ethylcyclohexyl)-1H-1,2,4-triazol-3-amine
PubChem CID61319754
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name5-(1-amino-4-ethylcyclohexyl)-1H-1,2,4-triazol-3-amine
SMILESCCC1CCC(N)(c2nc(N)n[nH]2)CC1
InChIInChI=1S/C10H19N5/c1-2-7-3-5-10(12,6-4-7)8-13-9(11)15-14-8/h7H,2-6,12H2,1H3,(H3,11,13,14,15)
InChIKeyGUXINVLPRIIFKJ-UHFFFAOYSA-N
XLogP1.14
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-4-ethylcyclohexyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(1-amino-4-ethylcyclohexyl)-1H-1,2,4-triazol-3-amine (CID 61319754) is 5-(1-amino-4-ethylcyclohexyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(1-amino-4-ethylcyclohexyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(1-amino-4-ethylcyclohexyl)-1H-1,2,4-triazol-3-amine is CCC1CCC(N)(c2nc(N)n[nH]2)CC1.
What is the InChIKey of 5-(1-amino-4-ethylcyclohexyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is GUXINVLPRIIFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-2-7-3-5-10(12,6-4-7)8-13-9(11)15-14-8/h7H,2-6,12H2,1H3,(H3,11,13,14,15).
What are the key properties of 5-(1-amino-4-ethylcyclohexyl)-1H-1,2,4-triazol-3-amine?
5-(1-amino-4-ethylcyclohexyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 209.30 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-4-ethylcyclohexyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 61319754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).