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

C11H14ClN7O — CID 106137226

IUPAC3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNc2nc(Cl)nc(-n3cncn3)n2)C1
InChIInChI=1S/C11H14ClN7O/c12-9-16-10(14-4-7-1-2-8(20)3-7)18-11(17-9)19-6-13-5-15-19/h5-8,20H,1-4H2,(H,14,16,17,18)
InChIKeyALCXFMUACRUYBN-UHFFFAOYSA-N
MW295.73 g/mol
LogP0.68
Rot. Bonds4

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

3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 106137226) has the molecular formula C11H14ClN7O and a molecular weight of 295.73 g/mol. Its IUPAC name is 3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
PubChem CID106137226
Molecular FormulaC11H14ClN7O
Molecular Weight295.73 g/mol
Exact Mass295.09
IUPAC Name3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNc2nc(Cl)nc(-n3cncn3)n2)C1
InChIInChI=1S/C11H14ClN7O/c12-9-16-10(14-4-7-1-2-8(20)3-7)18-11(17-9)19-6-13-5-15-19/h5-8,20H,1-4H2,(H,14,16,17,18)
InChIKeyALCXFMUACRUYBN-UHFFFAOYSA-N
XLogP0.68
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol (CID 106137226) is 3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol is OC1CCC(CNc2nc(Cl)nc(-n3cncn3)n2)C1.
What is the InChIKey of 3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is ALCXFMUACRUYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN7O/c12-9-16-10(14-4-7-1-2-8(20)3-7)18-11(17-9)19-6-13-5-15-19/h5-8,20H,1-4H2,(H,14,16,17,18).
What are the key properties of 3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol?
3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 295.73 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106137226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).