3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2,2-difluoropropan-1-ol

C10H16F2N4O — CID 106545027

IUPAC3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2,2-difluoropropan-1-ol
SMILESCCc1nnc(NCC(F)(F)CO)nc1CC
InChIInChI=1S/C10H16F2N4O/c1-3-7-8(4-2)15-16-9(14-7)13-5-10(11,12)6-17/h17H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyGPAZWSLOJQNZMN-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.04
Rot. Bonds6

About 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2,2-difluoropropan-1-ol

3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106545027) has the molecular formula C10H16F2N4O and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID106545027
Molecular FormulaC10H16F2N4O
Molecular Weight246.26 g/mol
Exact Mass246.13
IUPAC Name3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2,2-difluoropropan-1-ol
SMILESCCc1nnc(NCC(F)(F)CO)nc1CC
InChIInChI=1S/C10H16F2N4O/c1-3-7-8(4-2)15-16-9(14-7)13-5-10(11,12)6-17/h17H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyGPAZWSLOJQNZMN-UHFFFAOYSA-N
XLogP1.04
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2,2-difluoropropan-1-ol (CID 106545027) is 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2,2-difluoropropan-1-ol is CCc1nnc(NCC(F)(F)CO)nc1CC.
What is the InChIKey of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is GPAZWSLOJQNZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O/c1-3-7-8(4-2)15-16-9(14-7)13-5-10(11,12)6-17/h17H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2,2-difluoropropan-1-ol?
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 246.26 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106545027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).