3-phenyl-2-N-(tetrazolo[1,5-a]pyrazin-5-yl)propane-1,2-diamine

C13H15N7 — CID 63759971

IUPAC3-phenyl-2-N-(tetrazolo[1,5-a]pyrazin-5-yl)propane-1,2-diamine
SMILESNCC(Cc1ccccc1)Nc1cncc2nnnn12
InChIInChI=1S/C13H15N7/c14-7-11(6-10-4-2-1-3-5-10)16-12-8-15-9-13-17-18-19-20(12)13/h1-5,8-9,11,16H,6-7,14H2
InChIKeyYLVMKPGTBSXFDM-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.50
Rot. Bonds5

About 3-phenyl-2-N-(tetrazolo[1,5-a]pyrazin-5-yl)propane-1,2-diamine

3-phenyl-2-N-(tetrazolo[1,5-a]pyrazin-5-yl)propane-1,2-diamine (PubChem CID 63759971) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-phenyl-2-N-(tetrazolo[1,5-a]pyrazin-5-yl)propane-1,2-diamine.

Molecular Properties

Compound Name3-phenyl-2-N-(tetrazolo[1,5-a]pyrazin-5-yl)propane-1,2-diamine
PubChem CID63759971
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name3-phenyl-2-N-(tetrazolo[1,5-a]pyrazin-5-yl)propane-1,2-diamine
SMILESNCC(Cc1ccccc1)Nc1cncc2nnnn12
InChIInChI=1S/C13H15N7/c14-7-11(6-10-4-2-1-3-5-10)16-12-8-15-9-13-17-18-19-20(12)13/h1-5,8-9,11,16H,6-7,14H2
InChIKeyYLVMKPGTBSXFDM-UHFFFAOYSA-N
XLogP0.50
TPSA94.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-N-(tetrazolo[1,5-a]pyrazin-5-yl)propane-1,2-diamine?
The IUPAC name of 3-phenyl-2-N-(tetrazolo[1,5-a]pyrazin-5-yl)propane-1,2-diamine (CID 63759971) is 3-phenyl-2-N-(tetrazolo[1,5-a]pyrazin-5-yl)propane-1,2-diamine.
What is the SMILES notation for 3-phenyl-2-N-(tetrazolo[1,5-a]pyrazin-5-yl)propane-1,2-diamine?
The canonical SMILES for 3-phenyl-2-N-(tetrazolo[1,5-a]pyrazin-5-yl)propane-1,2-diamine is NCC(Cc1ccccc1)Nc1cncc2nnnn12.
What is the InChIKey of 3-phenyl-2-N-(tetrazolo[1,5-a]pyrazin-5-yl)propane-1,2-diamine?
The InChIKey is YLVMKPGTBSXFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c14-7-11(6-10-4-2-1-3-5-10)16-12-8-15-9-13-17-18-19-20(12)13/h1-5,8-9,11,16H,6-7,14H2.
What are the key properties of 3-phenyl-2-N-(tetrazolo[1,5-a]pyrazin-5-yl)propane-1,2-diamine?
3-phenyl-2-N-(tetrazolo[1,5-a]pyrazin-5-yl)propane-1,2-diamine has a molecular weight of 269.31 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-N-(tetrazolo[1,5-a]pyrazin-5-yl)propane-1,2-diamine is sourced from PubChem (CID 63759971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).