trans-(1R,2R)-2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol

C11H18N4O — CID 176918007

IUPACtrans-(1R,2R)-2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol
SMILESCc1nnc(N[C@@H]2CCCC[C@H]2O)nc1C
InChIInChI=1S/C11H18N4O/c1-7-8(2)14-15-11(12-7)13-9-5-3-4-6-10(9)16/h9-10,16H,3-6H2,1-2H3,(H,12,13,15)/t9-,10-/m1/s1
InChIKeyOUPSXPFYSHVYTJ-NXEZZACHSA-N
MW222.29 g/mol
LogP1.20
Rot. Bonds2

About trans-(1R,2R)-2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol

trans-(1R,2R)-2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol (PubChem CID 176918007) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol
PubChem CID176918007
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Nametrans-(1R,2R)-2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol
SMILESCc1nnc(N[C@@H]2CCCC[C@H]2O)nc1C
InChIInChI=1S/C11H18N4O/c1-7-8(2)14-15-11(12-7)13-9-5-3-4-6-10(9)16/h9-10,16H,3-6H2,1-2H3,(H,12,13,15)/t9-,10-/m1/s1
InChIKeyOUPSXPFYSHVYTJ-NXEZZACHSA-N
XLogP1.20
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol (CID 176918007) is trans-(1R,2R)-2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol is Cc1nnc(N[C@@H]2CCCC[C@H]2O)nc1C.
What is the InChIKey of trans-(1R,2R)-2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol?
The InChIKey is OUPSXPFYSHVYTJ-NXEZZACHSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-8(2)14-15-11(12-7)13-9-5-3-4-6-10(9)16/h9-10,16H,3-6H2,1-2H3,(H,12,13,15)/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol?
trans-(1R,2R)-2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol has a molecular weight of 222.29 g/mol, XLogP of 1.20, 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-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 176918007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).