6-chloro-3-N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine

C10H18ClN5O2 — CID 118166228

IUPAC6-chloro-3-N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine
SMILESCOCCOCC(C)(C)Nc1nnc(Cl)c(N)n1
InChIInChI=1S/C10H18ClN5O2/c1-10(2,6-18-5-4-17-3)14-9-13-8(12)7(11)15-16-9/h4-6H2,1-3H3,(H3,12,13,14,16)
InChIKeySQROIQCVKXCVSE-UHFFFAOYSA-N
MW275.74 g/mol
LogP0.96
Rot. Bonds7

About 6-chloro-3-N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine

6-chloro-3-N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine (PubChem CID 118166228) has the molecular formula C10H18ClN5O2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 6-chloro-3-N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-chloro-3-N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine
PubChem CID118166228
Molecular FormulaC10H18ClN5O2
Molecular Weight275.74 g/mol
Exact Mass275.11
IUPAC Name6-chloro-3-N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine
SMILESCOCCOCC(C)(C)Nc1nnc(Cl)c(N)n1
InChIInChI=1S/C10H18ClN5O2/c1-10(2,6-18-5-4-17-3)14-9-13-8(12)7(11)15-16-9/h4-6H2,1-3H3,(H3,12,13,14,16)
InChIKeySQROIQCVKXCVSE-UHFFFAOYSA-N
XLogP0.96
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 6-chloro-3-N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-chloro-3-N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine (CID 118166228) is 6-chloro-3-N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-chloro-3-N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-chloro-3-N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine is COCCOCC(C)(C)Nc1nnc(Cl)c(N)n1.
What is the InChIKey of 6-chloro-3-N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine?
The InChIKey is SQROIQCVKXCVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5O2/c1-10(2,6-18-5-4-17-3)14-9-13-8(12)7(11)15-16-9/h4-6H2,1-3H3,(H3,12,13,14,16).
What are the key properties of 6-chloro-3-N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine?
6-chloro-3-N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine has a molecular weight of 275.74 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 118166228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).