2-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)propane-1,2-diol

C8H12N6O2 — CID 66170333

IUPAC2-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)propane-1,2-diol
SMILESCC(O)(CO)CNc1cncc2nnnn12
InChIInChI=1S/C8H12N6O2/c1-8(16,5-15)4-10-6-2-9-3-7-11-12-13-14(6)7/h2-3,10,15-16H,4-5H2,1H3
InChIKeyVJZOYYMQPUIEFE-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.33
Rot. Bonds4

About 2-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)propane-1,2-diol

2-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)propane-1,2-diol (PubChem CID 66170333) has the molecular formula C8H12N6O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)propane-1,2-diol
PubChem CID66170333
Molecular FormulaC8H12N6O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name2-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)propane-1,2-diol
SMILESCC(O)(CO)CNc1cncc2nnnn12
InChIInChI=1S/C8H12N6O2/c1-8(16,5-15)4-10-6-2-9-3-7-11-12-13-14(6)7/h2-3,10,15-16H,4-5H2,1H3
InChIKeyVJZOYYMQPUIEFE-UHFFFAOYSA-N
XLogP-1.33
TPSA108.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)propane-1,2-diol?
The IUPAC name of 2-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)propane-1,2-diol (CID 66170333) is 2-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)propane-1,2-diol.
What is the SMILES notation for 2-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)propane-1,2-diol?
The canonical SMILES for 2-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)propane-1,2-diol is CC(O)(CO)CNc1cncc2nnnn12.
What is the InChIKey of 2-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)propane-1,2-diol?
The InChIKey is VJZOYYMQPUIEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2/c1-8(16,5-15)4-10-6-2-9-3-7-11-12-13-14(6)7/h2-3,10,15-16H,4-5H2,1H3.
What are the key properties of 2-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)propane-1,2-diol?
2-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)propane-1,2-diol has a molecular weight of 224.22 g/mol, XLogP of -1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)propane-1,2-diol is sourced from PubChem (CID 66170333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).