[3-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]phenyl]methanol

C12H12N6O — CID 63311511

IUPAC[3-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]phenyl]methanol
SMILESOCc1cccc(CNc2cncc3nnnn23)c1
InChIInChI=1S/C12H12N6O/c19-8-10-3-1-2-9(4-10)5-14-11-6-13-7-12-15-16-17-18(11)12/h1-4,6-7,14,19H,5,8H2
InChIKeyFCJZXEOOCGBYIP-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.62
Rot. Bonds4

About [3-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]phenyl]methanol

[3-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]phenyl]methanol (PubChem CID 63311511) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is [3-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]phenyl]methanol
PubChem CID63311511
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name[3-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]phenyl]methanol
SMILESOCc1cccc(CNc2cncc3nnnn23)c1
InChIInChI=1S/C12H12N6O/c19-8-10-3-1-2-9(4-10)5-14-11-6-13-7-12-15-16-17-18(11)12/h1-4,6-7,14,19H,5,8H2
InChIKeyFCJZXEOOCGBYIP-UHFFFAOYSA-N
XLogP0.62
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]phenyl]methanol?
The IUPAC name of [3-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]phenyl]methanol (CID 63311511) is [3-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]phenyl]methanol?
The canonical SMILES for [3-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]phenyl]methanol is OCc1cccc(CNc2cncc3nnnn23)c1.
What is the InChIKey of [3-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]phenyl]methanol?
The InChIKey is FCJZXEOOCGBYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c19-8-10-3-1-2-9(4-10)5-14-11-6-13-7-12-15-16-17-18(11)12/h1-4,6-7,14,19H,5,8H2.
What are the key properties of [3-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]phenyl]methanol?
[3-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]phenyl]methanol has a molecular weight of 256.27 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]phenyl]methanol is sourced from PubChem (CID 63311511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).