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

C7H10F2N4 — CID 114448678

IUPACN-(2,2-difluoroethyl)-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(NCC(F)F)nc1C
InChIInChI=1S/C7H10F2N4/c1-4-5(2)12-13-7(11-4)10-3-6(8)9/h6H,3H2,1-2H3,(H,10,11,13)
InChIKeyPKISOVJOEVAQDL-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.17
Rot. Bonds3

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

N-(2,2-difluoroethyl)-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 114448678) has the molecular formula C7H10F2N4 and a molecular weight of 188.18 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID114448678
Molecular FormulaC7H10F2N4
Molecular Weight188.18 g/mol
Exact Mass188.09
IUPAC NameN-(2,2-difluoroethyl)-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(NCC(F)F)nc1C
InChIInChI=1S/C7H10F2N4/c1-4-5(2)12-13-7(11-4)10-3-6(8)9/h6H,3H2,1-2H3,(H,10,11,13)
InChIKeyPKISOVJOEVAQDL-UHFFFAOYSA-N
XLogP1.17
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-(2,2-difluoroethyl)-5,6-dimethyl-1,2,4-triazin-3-amine (CID 114448678) is N-(2,2-difluoroethyl)-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-5,6-dimethyl-1,2,4-triazin-3-amine is Cc1nnc(NCC(F)F)nc1C.
What is the InChIKey of N-(2,2-difluoroethyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is PKISOVJOEVAQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4/c1-4-5(2)12-13-7(11-4)10-3-6(8)9/h6H,3H2,1-2H3,(H,10,11,13).
What are the key properties of N-(2,2-difluoroethyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
N-(2,2-difluoroethyl)-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 188.18 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5,6-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 114448678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).