N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C15H19N7O — CID 128976968

IUPACN-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC(C)n1nccc1[C@H]1OCC[C@@H]1Nc1nccn2cnnc12
InChIInChI=1S/C15H19N7O/c1-10(2)22-12(3-5-18-22)13-11(4-8-23-13)19-14-15-20-17-9-21(15)7-6-16-14/h3,5-7,9-11,13H,4,8H2,1-2H3,(H,16,19)/t11-,13-/m0/s1
InChIKeyMXPJUIQUHFTMCF-AAEUAGOBSA-N
MW313.37 g/mol
LogP1.84
Rot. Bonds4

About N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 128976968) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID128976968
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC NameN-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC(C)n1nccc1[C@H]1OCC[C@@H]1Nc1nccn2cnnc12
InChIInChI=1S/C15H19N7O/c1-10(2)22-12(3-5-18-22)13-11(4-8-23-13)19-14-15-20-17-9-21(15)7-6-16-14/h3,5-7,9-11,13H,4,8H2,1-2H3,(H,16,19)/t11-,13-/m0/s1
InChIKeyMXPJUIQUHFTMCF-AAEUAGOBSA-N
XLogP1.84
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 128976968) is N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CC(C)n1nccc1[C@H]1OCC[C@@H]1Nc1nccn2cnnc12.
What is the InChIKey of N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is MXPJUIQUHFTMCF-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H19N7O/c1-10(2)22-12(3-5-18-22)13-11(4-8-23-13)19-14-15-20-17-9-21(15)7-6-16-14/h3,5-7,9-11,13H,4,8H2,1-2H3,(H,16,19)/t11-,13-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 313.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 128976968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).