1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethanamine

C12H12N6 — CID 63196327

IUPAC1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethanamine
SMILESNC(Cc1cncc2nnnn12)c1ccccc1
InChIInChI=1S/C12H12N6/c13-11(9-4-2-1-3-5-9)6-10-7-14-8-12-15-16-17-18(10)12/h1-5,7-8,11H,6,13H2
InChIKeyVGPFICRAHBLOSI-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.76
Rot. Bonds3

About 1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethanamine

1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethanamine (PubChem CID 63196327) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethanamine.

Molecular Properties

Compound Name1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethanamine
PubChem CID63196327
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethanamine
SMILESNC(Cc1cncc2nnnn12)c1ccccc1
InChIInChI=1S/C12H12N6/c13-11(9-4-2-1-3-5-9)6-10-7-14-8-12-15-16-17-18(10)12/h1-5,7-8,11H,6,13H2
InChIKeyVGPFICRAHBLOSI-UHFFFAOYSA-N
XLogP0.76
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(tetrazolo[1,5-a]pyrazin-5-yl)propan-2-amine
CID 63196883
3,3-dimethyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine
CID 63196853
3-phenyl-2-N-(tetrazolo[1,5-a]pyrazin-5-yl)propane-1,2-diamine
CID 63759971
N-propyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine
CID 63202265
N-benzyl-N-(2-bromoethyl)tetrazolo[1,5-a]pyrazin-5-amine
CID 80674289
1-phenyl-2-pyridin-4-ylethanamine
CID 10465342
3-(4-fluorophenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid
CID 104572997
(1S)-2-phenyl-1-pyridin-3-ylethanamine
CID 93312491
2-phenyl-1-pyridin-3-ylethanamine
CID 10352711
1-(tetrazolo[1,5-a]pyrazin-5-yl)pentan-2-one
CID 63199240
3-amino-3-(tetrazolo[1,5-a]pyridin-5-yl)propan-1-ol
CID 83830313
1-phenyl-2-pyrimidin-2-ylethanamine
CID 63196621

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethanamine?
The IUPAC name of 1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethanamine (CID 63196327) is 1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethanamine.
What is the SMILES notation for 1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethanamine?
The canonical SMILES for 1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethanamine is NC(Cc1cncc2nnnn12)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethanamine?
The InChIKey is VGPFICRAHBLOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c13-11(9-4-2-1-3-5-9)6-10-7-14-8-12-15-16-17-18(10)12/h1-5,7-8,11H,6,13H2.
What are the key properties of 1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethanamine?
1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethanamine has a molecular weight of 240.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethanamine is sourced from PubChem (CID 63196327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).