5-(4-tert-butylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine

C13H24N4 — CID 104605414

IUPAC5-(4-tert-butylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(C2CCC(C(C)(C)C)CC2)nc1N
InChIInChI=1S/C13H24N4/c1-13(2,3)10-7-5-9(6-8-10)11-15-12(14)17(4)16-11/h9-10H,5-8H2,1-4H3,(H2,14,15,16)
InChIKeyMBJYRKSVQQPDAE-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.72
Rot. Bonds1

About 5-(4-tert-butylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine

5-(4-tert-butylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine (PubChem CID 104605414) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-(4-tert-butylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-tert-butylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine
PubChem CID104605414
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name5-(4-tert-butylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(C2CCC(C(C)(C)C)CC2)nc1N
InChIInChI=1S/C13H24N4/c1-13(2,3)10-7-5-9(6-8-10)11-15-12(14)17(4)16-11/h9-10H,5-8H2,1-4H3,(H2,14,15,16)
InChIKeyMBJYRKSVQQPDAE-UHFFFAOYSA-N
XLogP2.72
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-tert-butylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine (CID 104605414) is 5-(4-tert-butylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-tert-butylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-tert-butylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine is Cn1nc(C2CCC(C(C)(C)C)CC2)nc1N.
What is the InChIKey of 5-(4-tert-butylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is MBJYRKSVQQPDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-13(2,3)10-7-5-9(6-8-10)11-15-12(14)17(4)16-11/h9-10H,5-8H2,1-4H3,(H2,14,15,16).
What are the key properties of 5-(4-tert-butylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine?
5-(4-tert-butylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 236.36 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 104605414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).