N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-amine

C11H15FN6 — CID 121415355

IUPACN-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-amine
SMILESF[C@@H]1CNCC[C@@H]1CNc1cncc2nncn12
InChIInChI=1S/C11H15FN6/c12-9-4-13-2-1-8(9)3-15-10-5-14-6-11-17-16-7-18(10)11/h5-9,13,15H,1-4H2/t8-,9-/m1/s1
InChIKeyANXXZHGGIJBLFF-RKDXNWHRSA-N
MW250.28 g/mol
LogP0.48
Rot. Bonds3

About N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-amine

N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-amine (PubChem CID 121415355) has the molecular formula C11H15FN6 and a molecular weight of 250.28 g/mol. Its IUPAC name is N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-amine
PubChem CID121415355
Molecular FormulaC11H15FN6
Molecular Weight250.28 g/mol
Exact Mass250.13
IUPAC NameN-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-amine
SMILESF[C@@H]1CNCC[C@@H]1CNc1cncc2nncn12
InChIInChI=1S/C11H15FN6/c12-9-4-13-2-1-8(9)3-15-10-5-14-6-11-17-16-7-18(10)11/h5-9,13,15H,1-4H2/t8-,9-/m1/s1
InChIKeyANXXZHGGIJBLFF-RKDXNWHRSA-N
XLogP0.48
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-amine?
The IUPAC name of N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-amine (CID 121415355) is N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-amine.
What is the SMILES notation for N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-amine?
The canonical SMILES for N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-amine is F[C@@H]1CNCC[C@@H]1CNc1cncc2nncn12.
What is the InChIKey of N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-amine?
The InChIKey is ANXXZHGGIJBLFF-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H15FN6/c12-9-4-13-2-1-8(9)3-15-10-5-14-6-11-17-16-7-18(10)11/h5-9,13,15H,1-4H2/t8-,9-/m1/s1.
What are the key properties of N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-amine?
N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-amine has a molecular weight of 250.28 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-amine is sourced from PubChem (CID 121415355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).