N-(2-methoxypropyl)-5,6-dimethyl-1,2,4-triazin-3-amine

C9H16N4O — CID 102698905

IUPACN-(2-methoxypropyl)-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCOC(C)CNc1nnc(C)c(C)n1
InChIInChI=1S/C9H16N4O/c1-6(14-4)5-10-9-11-7(2)8(3)12-13-9/h6H,5H2,1-4H3,(H,10,11,13)
InChIKeyALBYCUGZIHRCAG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.94
Rot. Bonds4

About N-(2-methoxypropyl)-5,6-dimethyl-1,2,4-triazin-3-amine

N-(2-methoxypropyl)-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 102698905) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(2-methoxypropyl)-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2-methoxypropyl)-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID102698905
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-(2-methoxypropyl)-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCOC(C)CNc1nnc(C)c(C)n1
InChIInChI=1S/C9H16N4O/c1-6(14-4)5-10-9-11-7(2)8(3)12-13-9/h6H,5H2,1-4H3,(H,10,11,13)
InChIKeyALBYCUGZIHRCAG-UHFFFAOYSA-N
XLogP0.94
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-(2-methoxypropyl)-5,6-dimethyl-1,2,4-triazin-3-amine (CID 102698905) is N-(2-methoxypropyl)-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2-methoxypropyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2-methoxypropyl)-5,6-dimethyl-1,2,4-triazin-3-amine is COC(C)CNc1nnc(C)c(C)n1.
What is the InChIKey of N-(2-methoxypropyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is ALBYCUGZIHRCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(14-4)5-10-9-11-7(2)8(3)12-13-9/h6H,5H2,1-4H3,(H,10,11,13).
What are the key properties of N-(2-methoxypropyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
N-(2-methoxypropyl)-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 196.25 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-5,6-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 102698905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).