5-(4-amino-2,2,3-trimethylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine

C12H23N5 — CID 102631002

IUPAC5-(4-amino-2,2,3-trimethylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine
SMILESCC1C(N)CCC(c2nc(N)n(C)n2)C1(C)C
InChIInChI=1S/C12H23N5/c1-7-9(13)6-5-8(12(7,2)3)10-15-11(14)17(4)16-10/h7-9H,5-6,13H2,1-4H3,(H2,14,15,16)
InChIKeyABNUKTKRAGQFHJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.26
Rot. Bonds1

About 5-(4-amino-2,2,3-trimethylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine

5-(4-amino-2,2,3-trimethylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine (PubChem CID 102631002) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-(4-amino-2,2,3-trimethylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-amino-2,2,3-trimethylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine
PubChem CID102631002
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name5-(4-amino-2,2,3-trimethylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine
SMILESCC1C(N)CCC(c2nc(N)n(C)n2)C1(C)C
InChIInChI=1S/C12H23N5/c1-7-9(13)6-5-8(12(7,2)3)10-15-11(14)17(4)16-10/h7-9H,5-6,13H2,1-4H3,(H2,14,15,16)
InChIKeyABNUKTKRAGQFHJ-UHFFFAOYSA-N
XLogP1.26
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2,2,3-trimethylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-amino-2,2,3-trimethylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine (CID 102631002) is 5-(4-amino-2,2,3-trimethylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-amino-2,2,3-trimethylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-amino-2,2,3-trimethylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine is CC1C(N)CCC(c2nc(N)n(C)n2)C1(C)C.
What is the InChIKey of 5-(4-amino-2,2,3-trimethylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is ABNUKTKRAGQFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-7-9(13)6-5-8(12(7,2)3)10-15-11(14)17(4)16-10/h7-9H,5-6,13H2,1-4H3,(H2,14,15,16).
What are the key properties of 5-(4-amino-2,2,3-trimethylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine?
5-(4-amino-2,2,3-trimethylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 237.35 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2,2,3-trimethylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 102631002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).