4-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)cyclohexan-1-amine

C15H25N5 — CID 136837691

IUPAC4-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)cyclohexan-1-amine
SMILESNC1CCC(c2nc3n(n2)C2CCCCC2CN3)CC1
InChIInChI=1S/C15H25N5/c16-12-7-5-10(6-8-12)14-18-15-17-9-11-3-1-2-4-13(11)20(15)19-14/h10-13H,1-9,16H2,(H,17,18,19)
InChIKeyQUCWLAQHUONTSB-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.42
Rot. Bonds1

About 4-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)cyclohexan-1-amine

4-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)cyclohexan-1-amine (PubChem CID 136837691) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)cyclohexan-1-amine
PubChem CID136837691
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name4-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)cyclohexan-1-amine
SMILESNC1CCC(c2nc3n(n2)C2CCCCC2CN3)CC1
InChIInChI=1S/C15H25N5/c16-12-7-5-10(6-8-12)14-18-15-17-9-11-3-1-2-4-13(11)20(15)19-14/h10-13H,1-9,16H2,(H,17,18,19)
InChIKeyQUCWLAQHUONTSB-UHFFFAOYSA-N
XLogP2.42
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)cyclohexan-1-amine (CID 136837691) is 4-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)cyclohexan-1-amine is NC1CCC(c2nc3n(n2)C2CCCCC2CN3)CC1.
What is the InChIKey of 4-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)cyclohexan-1-amine?
The InChIKey is QUCWLAQHUONTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c16-12-7-5-10(6-8-12)14-18-15-17-9-11-3-1-2-4-13(11)20(15)19-14/h10-13H,1-9,16H2,(H,17,18,19).
What are the key properties of 4-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)cyclohexan-1-amine?
4-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)cyclohexan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 136837691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).