N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C15H15N5O2 — CID 95772776

IUPACN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCN(C[C@H]1COc2ccccc2O1)c1nccn2cnnc12
InChIInChI=1S/C15H15N5O2/c1-19(14-15-18-17-10-20(15)7-6-16-14)8-11-9-21-12-4-2-3-5-13(12)22-11/h2-7,10-11H,8-9H2,1H3/t11-/m0/s1
InChIKeyLWFUOIJJPVCKNT-NSHDSACASA-N
MW297.32 g/mol
LogP1.40
Rot. Bonds3

About N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 95772776) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID95772776
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCN(C[C@H]1COc2ccccc2O1)c1nccn2cnnc12
InChIInChI=1S/C15H15N5O2/c1-19(14-15-18-17-10-20(15)7-6-16-14)8-11-9-21-12-4-2-3-5-13(12)22-11/h2-7,10-11H,8-9H2,1H3/t11-/m0/s1
InChIKeyLWFUOIJJPVCKNT-NSHDSACASA-N
XLogP1.40
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 95772776) is N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CN(C[C@H]1COc2ccccc2O1)c1nccn2cnnc12.
What is the InChIKey of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is LWFUOIJJPVCKNT-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N5O2/c1-19(14-15-18-17-10-20(15)7-6-16-14)8-11-9-21-12-4-2-3-5-13(12)22-11/h2-7,10-11H,8-9H2,1H3/t11-/m0/s1.
What are the key properties of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 297.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 95772776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).