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

C6H6Cl2F2N4 — CID 130631788

IUPAC3,6-dichloro-N-(3,3-difluoropropyl)-1,2,4-triazin-5-amine
SMILESFC(F)CCNc1nc(Cl)nnc1Cl
InChIInChI=1S/C6H6Cl2F2N4/c7-4-5(11-2-1-3(9)10)12-6(8)14-13-4/h3H,1-2H2,(H,11,12,14)
InChIKeyCFDQPRMBOWUDGW-UHFFFAOYSA-N
MW243.04 g/mol
LogP2.25
Rot. Bonds4

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

3,6-dichloro-N-(3,3-difluoropropyl)-1,2,4-triazin-5-amine (PubChem CID 130631788) has the molecular formula C6H6Cl2F2N4 and a molecular weight of 243.04 g/mol. Its IUPAC name is 3,6-dichloro-N-(3,3-difluoropropyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(3,3-difluoropropyl)-1,2,4-triazin-5-amine
PubChem CID130631788
Molecular FormulaC6H6Cl2F2N4
Molecular Weight243.04 g/mol
Exact Mass241.99
IUPAC Name3,6-dichloro-N-(3,3-difluoropropyl)-1,2,4-triazin-5-amine
SMILESFC(F)CCNc1nc(Cl)nnc1Cl
InChIInChI=1S/C6H6Cl2F2N4/c7-4-5(11-2-1-3(9)10)12-6(8)14-13-4/h3H,1-2H2,(H,11,12,14)
InChIKeyCFDQPRMBOWUDGW-UHFFFAOYSA-N
XLogP2.25
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.04
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine
CID 81037431
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]propan-1-ol
CID 81038146
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine
CID 81035871
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-methylethanesulfonamide
CID 106341533
3,6-dichloro-N-(3-propoxypropyl)-1,2,4-triazin-5-amine
CID 82943113
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 81036688
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide
CID 106341596
2-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106257443
3,6-dichloro-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine
CID 81036321
3,6-dichloro-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-triazin-5-amine
CID 106432020
3-chloro-N-(3,3-difluoropropyl)pyridin-2-amine
CID 130735662
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide
CID 81035680

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(3,3-difluoropropyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-(3,3-difluoropropyl)-1,2,4-triazin-5-amine (CID 130631788) is 3,6-dichloro-N-(3,3-difluoropropyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-(3,3-difluoropropyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-(3,3-difluoropropyl)-1,2,4-triazin-5-amine is FC(F)CCNc1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-(3,3-difluoropropyl)-1,2,4-triazin-5-amine?
The InChIKey is CFDQPRMBOWUDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2F2N4/c7-4-5(11-2-1-3(9)10)12-6(8)14-13-4/h3H,1-2H2,(H,11,12,14).
What are the key properties of 3,6-dichloro-N-(3,3-difluoropropyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-(3,3-difluoropropyl)-1,2,4-triazin-5-amine has a molecular weight of 243.04 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(3,3-difluoropropyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 130631788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).