5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-methyl-1,2,4-triazol-3-amine

C12H21N5 — CID 104605561

IUPAC5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(C2CCC3CCCCC3N2)nc1N
InChIInChI=1S/C12H21N5/c1-17-12(13)15-11(16-17)10-7-6-8-4-2-3-5-9(8)14-10/h8-10,14H,2-7H2,1H3,(H2,13,15,16)
InChIKeyWECGAFOZZXBLBD-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.38
Rot. Bonds1

About 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-methyl-1,2,4-triazol-3-amine

5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-methyl-1,2,4-triazol-3-amine (PubChem CID 104605561) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-methyl-1,2,4-triazol-3-amine
PubChem CID104605561
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(C2CCC3CCCCC3N2)nc1N
InChIInChI=1S/C12H21N5/c1-17-12(13)15-11(16-17)10-7-6-8-4-2-3-5-9(8)14-10/h8-10,14H,2-7H2,1H3,(H2,13,15,16)
InChIKeyWECGAFOZZXBLBD-UHFFFAOYSA-N
XLogP1.38
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-methyl-1,2,4-triazol-3-amine (CID 104605561) is 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-methyl-1,2,4-triazol-3-amine is Cn1nc(C2CCC3CCCCC3N2)nc1N.
What is the InChIKey of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is WECGAFOZZXBLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-17-12(13)15-11(16-17)10-7-6-8-4-2-3-5-9(8)14-10/h8-10,14H,2-7H2,1H3,(H2,13,15,16).
What are the key properties of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-methyl-1,2,4-triazol-3-amine?
5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 235.33 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 104605561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).