N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine

C14H14N6O2 — CID 47053112

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine
SMILESCN(CC1COc2ccccc2O1)c1cncc2nnnn12
InChIInChI=1S/C14H14N6O2/c1-19(14-7-15-6-13-16-17-18-20(13)14)8-10-9-21-11-4-2-3-5-12(11)22-10/h2-7,10H,8-9H2,1H3
InChIKeyXRTDMMBLGJQZRI-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.80
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine (PubChem CID 47053112) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine
PubChem CID47053112
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine
SMILESCN(CC1COc2ccccc2O1)c1cncc2nnnn12
InChIInChI=1S/C14H14N6O2/c1-19(14-7-15-6-13-16-17-18-20(13)14)8-10-9-21-11-4-2-3-5-12(11)22-10/h2-7,10H,8-9H2,1H3
InChIKeyXRTDMMBLGJQZRI-UHFFFAOYSA-N
XLogP0.80
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine (CID 47053112) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine is CN(CC1COc2ccccc2O1)c1cncc2nnnn12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine?
The InChIKey is XRTDMMBLGJQZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-19(14-7-15-6-13-16-17-18-20(13)14)8-10-9-21-11-4-2-3-5-12(11)22-10/h2-7,10H,8-9H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine has a molecular weight of 298.31 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 47053112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).