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

C12H18N8O — CID 80832039

IUPAC3-[[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
SMILESCNc1nc(N(C)CC2CC(O)C2)nc(-n2cncn2)n1
InChIInChI=1S/C12H18N8O/c1-13-10-16-11(19(2)5-8-3-9(21)4-8)18-12(17-10)20-7-14-6-15-20/h6-9,21H,3-5H2,1-2H3,(H,13,16,17,18)
InChIKeyGEODZRMEVSTQER-UHFFFAOYSA-N
MW290.33 g/mol
LogP-0.30
Rot. Bonds5

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

3-[[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol (PubChem CID 80832039) has the molecular formula C12H18N8O and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-[[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
PubChem CID80832039
Molecular FormulaC12H18N8O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name3-[[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
SMILESCNc1nc(N(C)CC2CC(O)C2)nc(-n2cncn2)n1
InChIInChI=1S/C12H18N8O/c1-13-10-16-11(19(2)5-8-3-9(21)4-8)18-12(17-10)20-7-14-6-15-20/h6-9,21H,3-5H2,1-2H3,(H,13,16,17,18)
InChIKeyGEODZRMEVSTQER-UHFFFAOYSA-N
XLogP-0.30
TPSA104.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

4-N-(2,2-dimethylpropyl)-2-N,4-N-dimethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80818894
2-N,4-N-dimethyl-4-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 81064836
2-methyl-3-[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanenitrile
CID 80809894
3-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclobutan-1-ol
CID 80856564
2-N,4-N-dimethyl-4-N-(thiolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80783628
2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80838670
4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80809298
1-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol
CID 80922653
4-(2,6-dimethylmorpholin-4-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80749453
4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80753902
2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 80843254
4-(3-cyclopropylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80840951

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol (CID 80832039) is 3-[[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol is CNc1nc(N(C)CC2CC(O)C2)nc(-n2cncn2)n1.
What is the InChIKey of 3-[[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol?
The InChIKey is GEODZRMEVSTQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8O/c1-13-10-16-11(19(2)5-8-3-9(21)4-8)18-12(17-10)20-7-14-6-15-20/h6-9,21H,3-5H2,1-2H3,(H,13,16,17,18).
What are the key properties of 3-[[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol?
3-[[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol has a molecular weight of 290.33 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80832039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).