4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3,3-dimethylbutan-1-ol

C11H20N4O — CID 104924566

IUPAC4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCc1nnc(NCC(C)(C)CCO)nc1C
InChIInChI=1S/C11H20N4O/c1-8-9(2)14-15-10(13-8)12-7-11(3,4)5-6-16/h16H,5-7H2,1-4H3,(H,12,13,15)
InChIKeySDMXBLVQMRJSGM-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.31
Rot. Bonds5

About 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3,3-dimethylbutan-1-ol

4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3,3-dimethylbutan-1-ol (PubChem CID 104924566) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3,3-dimethylbutan-1-ol
PubChem CID104924566
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCc1nnc(NCC(C)(C)CCO)nc1C
InChIInChI=1S/C11H20N4O/c1-8-9(2)14-15-10(13-8)12-7-11(3,4)5-6-16/h16H,5-7H2,1-4H3,(H,12,13,15)
InChIKeySDMXBLVQMRJSGM-UHFFFAOYSA-N
XLogP1.31
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3,3-dimethylbutan-1-ol (CID 104924566) is 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3,3-dimethylbutan-1-ol is Cc1nnc(NCC(C)(C)CCO)nc1C.
What is the InChIKey of 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3,3-dimethylbutan-1-ol?
The InChIKey is SDMXBLVQMRJSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8-9(2)14-15-10(13-8)12-7-11(3,4)5-6-16/h16H,5-7H2,1-4H3,(H,12,13,15).
What are the key properties of 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3,3-dimethylbutan-1-ol?
4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3,3-dimethylbutan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 104924566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).