trans-(1R,2R)-2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine

C11H19N5 — CID 102738812

IUPACtrans-(1R,2R)-2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine
SMILESCc1nnc(N[C@@H]2CCCC[C@H]2N)nc1C
InChIInChI=1S/C11H19N5/c1-7-8(2)15-16-11(13-7)14-10-6-4-3-5-9(10)12/h9-10H,3-6,12H2,1-2H3,(H,13,14,16)/t9-,10-/m1/s1
InChIKeyWTRLVJKLNONXCS-NXEZZACHSA-N
MW221.31 g/mol
LogP1.17
Rot. Bonds2

About trans-(1R,2R)-2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine

trans-(1R,2R)-2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine (PubChem CID 102738812) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine
PubChem CID102738812
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Nametrans-(1R,2R)-2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine
SMILESCc1nnc(N[C@@H]2CCCC[C@H]2N)nc1C
InChIInChI=1S/C11H19N5/c1-7-8(2)15-16-11(13-7)14-10-6-4-3-5-9(10)12/h9-10H,3-6,12H2,1-2H3,(H,13,14,16)/t9-,10-/m1/s1
InChIKeyWTRLVJKLNONXCS-NXEZZACHSA-N
XLogP1.17
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine 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,2R)-2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine (CID 102738812) is trans-(1R,2R)-2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine is Cc1nnc(N[C@@H]2CCCC[C@H]2N)nc1C.
What is the InChIKey of trans-(1R,2R)-2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine?
The InChIKey is WTRLVJKLNONXCS-NXEZZACHSA-N. The full InChI is InChI=1S/C11H19N5/c1-7-8(2)15-16-11(13-7)14-10-6-4-3-5-9(10)12/h9-10H,3-6,12H2,1-2H3,(H,13,14,16)/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine?
trans-(1R,2R)-2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine has a molecular weight of 221.31 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 102738812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).