N-[(3S,4S)-3-fluorooxan-4-yl]-5-propan-2-yl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

C16H20FN7O — CID 177003619

IUPACN-[(3S,4S)-3-fluorooxan-4-yl]-5-propan-2-yl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCC(C)c1c(-c2cn[nH]c2)ncc2nc(N[C@H]3CCOC[C@H]3F)nn12
InChIInChI=1S/C16H20FN7O/c1-9(2)15-14(10-5-19-20-6-10)18-7-13-22-16(23-24(13)15)21-12-3-4-25-8-11(12)17/h5-7,9,11-12H,3-4,8H2,1-2H3,(H,19,20)(H,21,23)/t11-,12+/m1/s1
InChIKeyHHRTVGUBIGYGHP-NEPJUHHUSA-N
MW345.38 g/mol
LogP2.18
Rot. Bonds4

About N-[(3S,4S)-3-fluorooxan-4-yl]-5-propan-2-yl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

N-[(3S,4S)-3-fluorooxan-4-yl]-5-propan-2-yl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (PubChem CID 177003619) has the molecular formula C16H20FN7O and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[(3S,4S)-3-fluorooxan-4-yl]-5-propan-2-yl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(3S,4S)-3-fluorooxan-4-yl]-5-propan-2-yl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
PubChem CID177003619
Molecular FormulaC16H20FN7O
Molecular Weight345.38 g/mol
Exact Mass345.17
IUPAC NameN-[(3S,4S)-3-fluorooxan-4-yl]-5-propan-2-yl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCC(C)c1c(-c2cn[nH]c2)ncc2nc(N[C@H]3CCOC[C@H]3F)nn12
InChIInChI=1S/C16H20FN7O/c1-9(2)15-14(10-5-19-20-6-10)18-7-13-22-16(23-24(13)15)21-12-3-4-25-8-11(12)17/h5-7,9,11-12H,3-4,8H2,1-2H3,(H,19,20)(H,21,23)/t11-,12+/m1/s1
InChIKeyHHRTVGUBIGYGHP-NEPJUHHUSA-N
XLogP2.18
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3S,4S)-3-fluorooxan-4-yl]-5-propan-2-yl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-fluorooxan-4-yl]-5-propan-2-yl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of N-[(3S,4S)-3-fluorooxan-4-yl]-5-propan-2-yl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (CID 177003619) is N-[(3S,4S)-3-fluorooxan-4-yl]-5-propan-2-yl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for N-[(3S,4S)-3-fluorooxan-4-yl]-5-propan-2-yl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for N-[(3S,4S)-3-fluorooxan-4-yl]-5-propan-2-yl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is CC(C)c1c(-c2cn[nH]c2)ncc2nc(N[C@H]3CCOC[C@H]3F)nn12.
What is the InChIKey of N-[(3S,4S)-3-fluorooxan-4-yl]-5-propan-2-yl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The InChIKey is HHRTVGUBIGYGHP-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H20FN7O/c1-9(2)15-14(10-5-19-20-6-10)18-7-13-22-16(23-24(13)15)21-12-3-4-25-8-11(12)17/h5-7,9,11-12H,3-4,8H2,1-2H3,(H,19,20)(H,21,23)/t11-,12+/m1/s1.
What are the key properties of N-[(3S,4S)-3-fluorooxan-4-yl]-5-propan-2-yl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
N-[(3S,4S)-3-fluorooxan-4-yl]-5-propan-2-yl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine has a molecular weight of 345.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-fluorooxan-4-yl]-5-propan-2-yl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 177003619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).