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

C9H16N4O — CID 114448599

IUPAC3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]butan-1-ol
SMILESCc1nnc(NC(C)CCO)nc1C
InChIInChI=1S/C9H16N4O/c1-6(4-5-14)10-9-11-7(2)8(3)12-13-9/h6,14H,4-5H2,1-3H3,(H,10,11,13)
InChIKeyXOBOGNCCTSLGFM-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.67
Rot. Bonds4

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

3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]butan-1-ol (PubChem CID 114448599) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]butan-1-ol
PubChem CID114448599
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]butan-1-ol
SMILESCc1nnc(NC(C)CCO)nc1C
InChIInChI=1S/C9H16N4O/c1-6(4-5-14)10-9-11-7(2)8(3)12-13-9/h6,14H,4-5H2,1-3H3,(H,10,11,13)
InChIKeyXOBOGNCCTSLGFM-UHFFFAOYSA-N
XLogP0.67
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]butan-1-ol?
The IUPAC name of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]butan-1-ol (CID 114448599) is 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]butan-1-ol.
What is the SMILES notation for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]butan-1-ol?
The canonical SMILES for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]butan-1-ol is Cc1nnc(NC(C)CCO)nc1C.
What is the InChIKey of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]butan-1-ol?
The InChIKey is XOBOGNCCTSLGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(4-5-14)10-9-11-7(2)8(3)12-13-9/h6,14H,4-5H2,1-3H3,(H,10,11,13).
What are the key properties of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]butan-1-ol?
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]butan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]butan-1-ol is sourced from PubChem (CID 114448599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).