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

C11H19N5 — CID 114787028

IUPAC2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine
SMILESCc1nnc(NC2CCCCC2N)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)
InChIKeyWTRLVJKLNONXCS-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.17
Rot. Bonds2

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

2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine (PubChem CID 114787028) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine
PubChem CID114787028
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine
SMILESCc1nnc(NC2CCCCC2N)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)
InChIKeyWTRLVJKLNONXCS-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine (CID 114787028) is 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine is Cc1nnc(NC2CCCCC2N)nc1C.
What is the InChIKey of 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine?
The InChIKey is WTRLVJKLNONXCS-UHFFFAOYSA-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).
What are the key properties of 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine?
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 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 114787028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).