3-[(5-aminopyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol

C7H9F3N4O — CID 104969978

IUPAC3-[(5-aminopyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESNc1cnc(NCC(O)C(F)(F)F)cn1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)4(15)1-13-6-3-12-5(11)2-14-6/h2-4,15H,1H2,(H2,11,12)(H,13,14)
InChIKeyHGMXJXIRKLKLHX-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.39
Rot. Bonds3

About 3-[(5-aminopyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol

3-[(5-aminopyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 104969978) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 3-[(5-aminopyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(5-aminopyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID104969978
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name3-[(5-aminopyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESNc1cnc(NCC(O)C(F)(F)F)cn1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)4(15)1-13-6-3-12-5(11)2-14-6/h2-4,15H,1H2,(H2,11,12)(H,13,14)
InChIKeyHGMXJXIRKLKLHX-UHFFFAOYSA-N
XLogP0.39
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-aminopyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(5-aminopyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol (CID 104969978) is 3-[(5-aminopyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(5-aminopyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(5-aminopyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol is Nc1cnc(NCC(O)C(F)(F)F)cn1.
What is the InChIKey of 3-[(5-aminopyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is HGMXJXIRKLKLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c8-7(9,10)4(15)1-13-6-3-12-5(11)2-14-6/h2-4,15H,1H2,(H2,11,12)(H,13,14).
What are the key properties of 3-[(5-aminopyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(5-aminopyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 222.17 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminopyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 104969978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).