N-pyrazin-2-yl-3-(tetrazol-1-yl)propanamide

C8H9N7O — CID 91692600

IUPACN-pyrazin-2-yl-3-(tetrazol-1-yl)propanamide
SMILESO=C(CCn1cnnn1)Nc1cnccn1
InChIInChI=1S/C8H9N7O/c16-8(1-4-15-6-11-13-14-15)12-7-5-9-2-3-10-7/h2-3,5-6H,1,4H2,(H,10,12,16)
InChIKeyMIONBQBQJKCWTI-UHFFFAOYSA-N
MW219.21 g/mol
LogP-0.51
Rot. Bonds4

About N-pyrazin-2-yl-3-(tetrazol-1-yl)propanamide

N-pyrazin-2-yl-3-(tetrazol-1-yl)propanamide (PubChem CID 91692600) has the molecular formula C8H9N7O and a molecular weight of 219.21 g/mol. Its IUPAC name is N-pyrazin-2-yl-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-pyrazin-2-yl-3-(tetrazol-1-yl)propanamide
PubChem CID91692600
Molecular FormulaC8H9N7O
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC NameN-pyrazin-2-yl-3-(tetrazol-1-yl)propanamide
SMILESO=C(CCn1cnnn1)Nc1cnccn1
InChIInChI=1S/C8H9N7O/c16-8(1-4-15-6-11-13-14-15)12-7-5-9-2-3-10-7/h2-3,5-6H,1,4H2,(H,10,12,16)
InChIKeyMIONBQBQJKCWTI-UHFFFAOYSA-N
XLogP-0.51
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-pyrazin-2-yl-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-pyrazin-2-yl-3-(tetrazol-1-yl)propanamide (CID 91692600) is N-pyrazin-2-yl-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-pyrazin-2-yl-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-pyrazin-2-yl-3-(tetrazol-1-yl)propanamide is O=C(CCn1cnnn1)Nc1cnccn1.
What is the InChIKey of N-pyrazin-2-yl-3-(tetrazol-1-yl)propanamide?
The InChIKey is MIONBQBQJKCWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7O/c16-8(1-4-15-6-11-13-14-15)12-7-5-9-2-3-10-7/h2-3,5-6H,1,4H2,(H,10,12,16).
What are the key properties of N-pyrazin-2-yl-3-(tetrazol-1-yl)propanamide?
N-pyrazin-2-yl-3-(tetrazol-1-yl)propanamide has a molecular weight of 219.21 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazin-2-yl-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 91692600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).