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

C11H20N4O — CID 104925073

IUPAC5-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-1-ol
SMILESCc1nnc(NCCCC(C)CO)nc1C
InChIInChI=1S/C11H20N4O/c1-8(7-16)5-4-6-12-11-13-9(2)10(3)14-15-11/h8,16H,4-7H2,1-3H3,(H,12,13,15)
InChIKeyGMOHYGCZEDDFQK-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.31
Rot. Bonds6

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

5-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-1-ol (PubChem CID 104925073) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-1-ol
PubChem CID104925073
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name5-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-1-ol
SMILESCc1nnc(NCCCC(C)CO)nc1C
InChIInChI=1S/C11H20N4O/c1-8(7-16)5-4-6-12-11-13-9(2)10(3)14-15-11/h8,16H,4-7H2,1-3H3,(H,12,13,15)
InChIKeyGMOHYGCZEDDFQK-UHFFFAOYSA-N
XLogP1.31
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-1-ol (CID 104925073) is 5-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-1-ol is Cc1nnc(NCCCC(C)CO)nc1C.
What is the InChIKey of 5-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-1-ol?
The InChIKey is GMOHYGCZEDDFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(7-16)5-4-6-12-11-13-9(2)10(3)14-15-11/h8,16H,4-7H2,1-3H3,(H,12,13,15).
What are the key properties of 5-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-1-ol?
5-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 104925073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).