1-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol

C16H28N4O — CID 105362695

IUPAC1-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCc1nnc(NCC2(O)CCC(CC)CC2)nc1CC
InChIInChI=1S/C16H28N4O/c1-4-12-7-9-16(21,10-8-12)11-17-15-18-13(5-2)14(6-3)19-20-15/h12,21H,4-11H2,1-3H3,(H,17,18,20)
InChIKeyGVCRDBIFPIRMCN-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.74
Rot. Bonds6

About 1-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol

1-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 105362695) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID105362695
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCc1nnc(NCC2(O)CCC(CC)CC2)nc1CC
InChIInChI=1S/C16H28N4O/c1-4-12-7-9-16(21,10-8-12)11-17-15-18-13(5-2)14(6-3)19-20-15/h12,21H,4-11H2,1-3H3,(H,17,18,20)
InChIKeyGVCRDBIFPIRMCN-UHFFFAOYSA-N
XLogP2.74
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol (CID 105362695) is 1-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol is CCc1nnc(NCC2(O)CCC(CC)CC2)nc1CC.
What is the InChIKey of 1-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is GVCRDBIFPIRMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-12-7-9-16(21,10-8-12)11-17-15-18-13(5-2)14(6-3)19-20-15/h12,21H,4-11H2,1-3H3,(H,17,18,20).
What are the key properties of 1-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
1-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 292.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 105362695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).