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

C11H14ClN7O2 — CID 81135119

IUPAC4-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol
SMILESOC1(CNc2nc(Cl)nc(-n3cncn3)n2)CCOCC1
InChIInChI=1S/C11H14ClN7O2/c12-8-16-9(14-5-11(20)1-3-21-4-2-11)18-10(17-8)19-7-13-6-15-19/h6-7,20H,1-5H2,(H,14,16,17,18)
InChIKeyNAUIOQDSXQRUQK-UHFFFAOYSA-N
MW311.73 g/mol
LogP0.06
Rot. Bonds4

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

4-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol (PubChem CID 81135119) has the molecular formula C11H14ClN7O2 and a molecular weight of 311.73 g/mol. Its IUPAC name is 4-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol
PubChem CID81135119
Molecular FormulaC11H14ClN7O2
Molecular Weight311.73 g/mol
Exact Mass311.09
IUPAC Name4-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol
SMILESOC1(CNc2nc(Cl)nc(-n3cncn3)n2)CCOCC1
InChIInChI=1S/C11H14ClN7O2/c12-8-16-9(14-5-11(20)1-3-21-4-2-11)18-10(17-8)19-7-13-6-15-19/h6-7,20H,1-5H2,(H,14,16,17,18)
InChIKeyNAUIOQDSXQRUQK-UHFFFAOYSA-N
XLogP0.06
TPSA110.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol with MolForge

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Related Compounds

3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol
CID 106102710
[1-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopropyl]methanol
CID 113313366
4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 105419837
N-but-3-ynyl-4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 106194914
4-chloro-N-(2-chloroprop-2-enyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 106195533
4-chloro-N-(cyclopentylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 55125550
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide
CID 62864218
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 62864023
4-chloro-N-(2-methylsulfanylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 63959659
4-chloro-N-(2-piperidin-1-ylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62864636
3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 106137226
3-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2,3-dimethylbutan-2-ol
CID 106192337

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol (CID 81135119) is 4-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol is OC1(CNc2nc(Cl)nc(-n3cncn3)n2)CCOCC1.
What is the InChIKey of 4-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol?
The InChIKey is NAUIOQDSXQRUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN7O2/c12-8-16-9(14-5-11(20)1-3-21-4-2-11)18-10(17-8)19-7-13-6-15-19/h6-7,20H,1-5H2,(H,14,16,17,18).
What are the key properties of 4-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol?
4-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol has a molecular weight of 311.73 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 81135119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).