1-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol

C12H19ClN4O2 — CID 65109090

IUPAC1-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCCOc1nc(Cl)nc(NCC2(O)CCCCC2)n1
InChIInChI=1S/C12H19ClN4O2/c1-2-19-11-16-9(13)15-10(17-11)14-8-12(18)6-4-3-5-7-12/h18H,2-8H2,1H3,(H,14,15,16,17)
InChIKeyQBCQCUKDEOHCMH-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.03
Rot. Bonds5

About 1-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol

1-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65109090) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65109090
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name1-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCCOc1nc(Cl)nc(NCC2(O)CCCCC2)n1
InChIInChI=1S/C12H19ClN4O2/c1-2-19-11-16-9(13)15-10(17-11)14-8-12(18)6-4-3-5-7-12/h18H,2-8H2,1H3,(H,14,15,16,17)
InChIKeyQBCQCUKDEOHCMH-UHFFFAOYSA-N
XLogP2.03
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (CID 65109090) is 1-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol is CCOc1nc(Cl)nc(NCC2(O)CCCCC2)n1.
What is the InChIKey of 1-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is QBCQCUKDEOHCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-2-19-11-16-9(13)15-10(17-11)14-8-12(18)6-4-3-5-7-12/h18H,2-8H2,1H3,(H,14,15,16,17).
What are the key properties of 1-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
1-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 286.76 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65109090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).