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

C10H12ClN7O2 — CID 106102710

IUPAC3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol
SMILESOC1(CNc2nc(Cl)nc(-n3cncn3)n2)CCOC1
InChIInChI=1S/C10H12ClN7O2/c11-7-15-8(13-3-10(19)1-2-20-4-10)17-9(16-7)18-6-12-5-14-18/h5-6,19H,1-4H2,(H,13,15,16,17)
InChIKeyMIVMFGNFLZRPPK-UHFFFAOYSA-N
MW297.71 g/mol
LogP-0.33
Rot. Bonds4

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

3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol (PubChem CID 106102710) has the molecular formula C10H12ClN7O2 and a molecular weight of 297.71 g/mol. Its IUPAC name is 3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol
PubChem CID106102710
Molecular FormulaC10H12ClN7O2
Molecular Weight297.71 g/mol
Exact Mass297.07
IUPAC Name3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol
SMILESOC1(CNc2nc(Cl)nc(-n3cncn3)n2)CCOC1
InChIInChI=1S/C10H12ClN7O2/c11-7-15-8(13-3-10(19)1-2-20-4-10)17-9(16-7)18-6-12-5-14-18/h5-6,19H,1-4H2,(H,13,15,16,17)
InChIKeyMIVMFGNFLZRPPK-UHFFFAOYSA-N
XLogP-0.33
TPSA110.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

4-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol
CID 81135119
[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-(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
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
4-chloro-N-[(E)-pent-3-enyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 106195902
4-chloro-N-(2-cyclopentyloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 63834250
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 62864023

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]oxolan-3-ol?
The IUPAC name of 3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol (CID 106102710) is 3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-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]oxolan-3-ol?
The canonical SMILES for 3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol is OC1(CNc2nc(Cl)nc(-n3cncn3)n2)CCOC1.
What is the InChIKey of 3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol?
The InChIKey is MIVMFGNFLZRPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN7O2/c11-7-15-8(13-3-10(19)1-2-20-4-10)17-9(16-7)18-6-12-5-14-18/h5-6,19H,1-4H2,(H,13,15,16,17).
What are the key properties of 3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol?
3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol has a molecular weight of 297.71 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 9 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]oxolan-3-ol is sourced from PubChem (CID 106102710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).