N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-7-methylpurin-2-amine

C15H20N8 — CID 163310513

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-7-methylpurin-2-amine
SMILESCn1cnc2nc(NCc3nncn3C3CCCCC3)ncc21
InChIInChI=1S/C15H20N8/c1-22-9-18-14-12(22)7-16-15(20-14)17-8-13-21-19-10-23(13)11-5-3-2-4-6-11/h7,9-11H,2-6,8H2,1H3,(H,16,17,20)
InChIKeyADFMDGJQVLKCGX-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.07
Rot. Bonds4

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-7-methylpurin-2-amine

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-7-methylpurin-2-amine (PubChem CID 163310513) has the molecular formula C15H20N8 and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-7-methylpurin-2-amine.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-7-methylpurin-2-amine
PubChem CID163310513
Molecular FormulaC15H20N8
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-7-methylpurin-2-amine
SMILESCn1cnc2nc(NCc3nncn3C3CCCCC3)ncc21
InChIInChI=1S/C15H20N8/c1-22-9-18-14-12(22)7-16-15(20-14)17-8-13-21-19-10-23(13)11-5-3-2-4-6-11/h7,9-11H,2-6,8H2,1H3,(H,16,17,20)
InChIKeyADFMDGJQVLKCGX-UHFFFAOYSA-N
XLogP2.07
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-7-methylpurin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]aniline
CID 62709549
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 131900530
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine
CID 60762129
3-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine
CID 62710749
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-methoxyethanamine
CID 79270074
1-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-methylpropan-2-amine
CID 64672693
(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-phenoxypropan-2-amine
CID 95121618
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 131950748
7-methyl-N-[3-(2H-tetrazol-5-yl)propyl]purin-2-amine
CID 157019497
N-[2-(4-fluorophenyl)ethyl]-7-methylpurin-2-amine
CID 162630034
4-[2-[(7-methylpurin-2-yl)amino]ethyl]benzenesulfonamide
CID 157016797
1-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 64672496

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-7-methylpurin-2-amine?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-7-methylpurin-2-amine (CID 163310513) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-7-methylpurin-2-amine.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-7-methylpurin-2-amine?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-7-methylpurin-2-amine is Cn1cnc2nc(NCc3nncn3C3CCCCC3)ncc21.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-7-methylpurin-2-amine?
The InChIKey is ADFMDGJQVLKCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8/c1-22-9-18-14-12(22)7-16-15(20-14)17-8-13-21-19-10-23(13)11-5-3-2-4-6-11/h7,9-11H,2-6,8H2,1H3,(H,16,17,20).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-7-methylpurin-2-amine?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-7-methylpurin-2-amine has a molecular weight of 312.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-7-methylpurin-2-amine is sourced from PubChem (CID 163310513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).