trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentan-1-ol

C9H13ClN4O — CID 171763573

IUPACtrans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentan-1-ol
SMILESCc1nc(N[C@@H]2CC[C@@H](O)C2)nnc1Cl
InChIInChI=1S/C9H13ClN4O/c1-5-8(10)13-14-9(11-5)12-6-2-3-7(15)4-6/h6-7,15H,2-4H2,1H3,(H,11,12,14)/t6-,7-/m1/s1
InChIKeySCJZIAJFZIOHFA-RNFRBKRXSA-N
MW228.68 g/mol
LogP1.16
Rot. Bonds2

About trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentan-1-ol

trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentan-1-ol (PubChem CID 171763573) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentan-1-ol
PubChem CID171763573
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Nametrans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentan-1-ol
SMILESCc1nc(N[C@@H]2CC[C@@H](O)C2)nnc1Cl
InChIInChI=1S/C9H13ClN4O/c1-5-8(10)13-14-9(11-5)12-6-2-3-7(15)4-6/h6-7,15H,2-4H2,1H3,(H,11,12,14)/t6-,7-/m1/s1
InChIKeySCJZIAJFZIOHFA-RNFRBKRXSA-N
XLogP1.16
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentan-1-ol 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 trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentan-1-ol (CID 171763573) is trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentan-1-ol is Cc1nc(N[C@@H]2CC[C@@H](O)C2)nnc1Cl.
What is the InChIKey of trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentan-1-ol?
The InChIKey is SCJZIAJFZIOHFA-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-5-8(10)13-14-9(11-5)12-6-2-3-7(15)4-6/h6-7,15H,2-4H2,1H3,(H,11,12,14)/t6-,7-/m1/s1.
What are the key properties of trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentan-1-ol?
trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentan-1-ol has a molecular weight of 228.68 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 171763573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).