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

C10H18N4O — CID 114448752

IUPAC1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]pentan-3-ol
SMILESCCC(O)CCNc1nnc(C)c(C)n1
InChIInChI=1S/C10H18N4O/c1-4-9(15)5-6-11-10-12-7(2)8(3)13-14-10/h9,15H,4-6H2,1-3H3,(H,11,12,14)
InChIKeyIQBRMKJAFCCXAT-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.06
Rot. Bonds5

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

1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]pentan-3-ol (PubChem CID 114448752) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]pentan-3-ol.

Molecular Properties

Compound Name1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]pentan-3-ol
PubChem CID114448752
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]pentan-3-ol
SMILESCCC(O)CCNc1nnc(C)c(C)n1
InChIInChI=1S/C10H18N4O/c1-4-9(15)5-6-11-10-12-7(2)8(3)13-14-10/h9,15H,4-6H2,1-3H3,(H,11,12,14)
InChIKeyIQBRMKJAFCCXAT-UHFFFAOYSA-N
XLogP1.06
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]pentan-3-ol?
The IUPAC name of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]pentan-3-ol (CID 114448752) is 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]pentan-3-ol.
What is the SMILES notation for 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]pentan-3-ol?
The canonical SMILES for 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]pentan-3-ol is CCC(O)CCNc1nnc(C)c(C)n1.
What is the InChIKey of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]pentan-3-ol?
The InChIKey is IQBRMKJAFCCXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-9(15)5-6-11-10-12-7(2)8(3)13-14-10/h9,15H,4-6H2,1-3H3,(H,11,12,14).
What are the key properties of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]pentan-3-ol?
1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]pentan-3-ol has a molecular weight of 210.28 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]pentan-3-ol is sourced from PubChem (CID 114448752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).