3,6-dichloro-N-(2-methyloxolan-3-yl)-1,2,4-triazin-5-amine

C8H10Cl2N4O — CID 82729412

IUPAC3,6-dichloro-N-(2-methyloxolan-3-yl)-1,2,4-triazin-5-amine
SMILESCC1OCCC1Nc1nc(Cl)nnc1Cl
InChIInChI=1S/C8H10Cl2N4O/c1-4-5(2-3-15-4)11-7-6(9)13-14-8(10)12-7/h4-5H,2-3H2,1H3,(H,11,12,14)
InChIKeyPWBDQZQXGKOQKW-UHFFFAOYSA-N
MW249.10 g/mol
LogP1.77
Rot. Bonds2

About 3,6-dichloro-N-(2-methyloxolan-3-yl)-1,2,4-triazin-5-amine

3,6-dichloro-N-(2-methyloxolan-3-yl)-1,2,4-triazin-5-amine (PubChem CID 82729412) has the molecular formula C8H10Cl2N4O and a molecular weight of 249.10 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-methyloxolan-3-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(2-methyloxolan-3-yl)-1,2,4-triazin-5-amine
PubChem CID82729412
Molecular FormulaC8H10Cl2N4O
Molecular Weight249.10 g/mol
Exact Mass248.02
IUPAC Name3,6-dichloro-N-(2-methyloxolan-3-yl)-1,2,4-triazin-5-amine
SMILESCC1OCCC1Nc1nc(Cl)nnc1Cl
InChIInChI=1S/C8H10Cl2N4O/c1-4-5(2-3-15-4)11-7-6(9)13-14-8(10)12-7/h4-5H,2-3H2,1H3,(H,11,12,14)
InChIKeyPWBDQZQXGKOQKW-UHFFFAOYSA-N
XLogP1.77
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-methyloxolan-3-yl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-(2-methyloxolan-3-yl)-1,2,4-triazin-5-amine (CID 82729412) is 3,6-dichloro-N-(2-methyloxolan-3-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-(2-methyloxolan-3-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-(2-methyloxolan-3-yl)-1,2,4-triazin-5-amine is CC1OCCC1Nc1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2-methyloxolan-3-yl)-1,2,4-triazin-5-amine?
The InChIKey is PWBDQZQXGKOQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N4O/c1-4-5(2-3-15-4)11-7-6(9)13-14-8(10)12-7/h4-5H,2-3H2,1H3,(H,11,12,14).
What are the key properties of 3,6-dichloro-N-(2-methyloxolan-3-yl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-(2-methyloxolan-3-yl)-1,2,4-triazin-5-amine has a molecular weight of 249.10 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-methyloxolan-3-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 82729412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).