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

C8H12F2N4 — CID 131209416

IUPACN-(1,1-difluoropropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(NC(C)C(F)F)nc1C
InChIInChI=1S/C8H12F2N4/c1-4-5(2)13-14-8(11-4)12-6(3)7(9)10/h6-7H,1-3H3,(H,11,12,14)
InChIKeyYRUOURMVLXUIOZ-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.55
Rot. Bonds3

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

N-(1,1-difluoropropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 131209416) has the molecular formula C8H12F2N4 and a molecular weight of 202.21 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID131209416
Molecular FormulaC8H12F2N4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC NameN-(1,1-difluoropropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(NC(C)C(F)F)nc1C
InChIInChI=1S/C8H12F2N4/c1-4-5(2)13-14-8(11-4)12-6(3)7(9)10/h6-7H,1-3H3,(H,11,12,14)
InChIKeyYRUOURMVLXUIOZ-UHFFFAOYSA-N
XLogP1.55
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine (CID 131209416) is N-(1,1-difluoropropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine is Cc1nnc(NC(C)C(F)F)nc1C.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is YRUOURMVLXUIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4/c1-4-5(2)13-14-8(11-4)12-6(3)7(9)10/h6-7H,1-3H3,(H,11,12,14).
What are the key properties of N-(1,1-difluoropropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine?
N-(1,1-difluoropropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 202.21 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 131209416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).