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

C10H16F2N4O — CID 106544609

IUPAC3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1-difluoropropan-2-ol
SMILESCCc1nnc(NCC(O)C(F)F)nc1CC
InChIInChI=1S/C10H16F2N4O/c1-3-6-7(4-2)15-16-10(14-6)13-5-8(17)9(11)12/h8-9,17H,3-5H2,1-2H3,(H,13,14,16)
InChIKeyQCNYVSGGWQZQMN-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.03
Rot. Bonds6

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

3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1-difluoropropan-2-ol (PubChem CID 106544609) 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]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1-difluoropropan-2-ol
PubChem CID106544609
Molecular FormulaC10H16F2N4O
Molecular Weight246.26 g/mol
Exact Mass246.13
IUPAC Name3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1-difluoropropan-2-ol
SMILESCCc1nnc(NCC(O)C(F)F)nc1CC
InChIInChI=1S/C10H16F2N4O/c1-3-6-7(4-2)15-16-10(14-6)13-5-8(17)9(11)12/h8-9,17H,3-5H2,1-2H3,(H,13,14,16)
InChIKeyQCNYVSGGWQZQMN-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
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]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1-difluoropropan-2-ol (CID 106544609) is 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1-difluoropropan-2-ol is CCc1nnc(NCC(O)C(F)F)nc1CC.
What is the InChIKey of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1-difluoropropan-2-ol?
The InChIKey is QCNYVSGGWQZQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O/c1-3-6-7(4-2)15-16-10(14-6)13-5-8(17)9(11)12/h8-9,17H,3-5H2,1-2H3,(H,13,14,16).
What are the key properties of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1-difluoropropan-2-ol?
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1-difluoropropan-2-ol has a molecular weight of 246.26 g/mol, XLogP of 1.03, 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]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 106544609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).