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

C12H21N5 — CID 102639436

IUPAC2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine
SMILESCc1nnc(N(C)C2CCCCC2N)nc1C
InChIInChI=1S/C12H21N5/c1-8-9(2)15-16-12(14-8)17(3)11-7-5-4-6-10(11)13/h10-11H,4-7,13H2,1-3H3
InChIKeyWJNACSISFMZTDH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.19
Rot. Bonds2

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

2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine (PubChem CID 102639436) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine
PubChem CID102639436
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine
SMILESCc1nnc(N(C)C2CCCCC2N)nc1C
InChIInChI=1S/C12H21N5/c1-8-9(2)15-16-12(14-8)17(3)11-7-5-4-6-10(11)13/h10-11H,4-7,13H2,1-3H3
InChIKeyWJNACSISFMZTDH-UHFFFAOYSA-N
XLogP1.19
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
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)-2-N-methylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine (CID 102639436) is 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine is Cc1nnc(N(C)C2CCCCC2N)nc1C.
What is the InChIKey of 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine?
The InChIKey is WJNACSISFMZTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-8-9(2)15-16-12(14-8)17(3)11-7-5-4-6-10(11)13/h10-11H,4-7,13H2,1-3H3.
What are the key properties of 2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine?
2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 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)-2-N-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 102639436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).