N-[(E)-pent-3-enyl]tetrazolo[1,5-a]pyrazin-5-amine

C9H12N6 — CID 115628530

IUPACN-[(E)-pent-3-enyl]tetrazolo[1,5-a]pyrazin-5-amine
SMILESC/C=C/CCNc1cncc2nnnn12
InChIInChI=1S/C9H12N6/c1-2-3-4-5-11-8-6-10-7-9-12-13-14-15(8)9/h2-3,6-7,11H,4-5H2,1H3/b3-2+
InChIKeyDVPGHFURCNLXEF-NSCUHMNNSA-N
MW204.24 g/mol
LogP0.90
Rot. Bonds4

About N-[(E)-pent-3-enyl]tetrazolo[1,5-a]pyrazin-5-amine

N-[(E)-pent-3-enyl]tetrazolo[1,5-a]pyrazin-5-amine (PubChem CID 115628530) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]tetrazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]tetrazolo[1,5-a]pyrazin-5-amine
PubChem CID115628530
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC NameN-[(E)-pent-3-enyl]tetrazolo[1,5-a]pyrazin-5-amine
SMILESC/C=C/CCNc1cncc2nnnn12
InChIInChI=1S/C9H12N6/c1-2-3-4-5-11-8-6-10-7-9-12-13-14-15(8)9/h2-3,6-7,11H,4-5H2,1H3/b3-2+
InChIKeyDVPGHFURCNLXEF-NSCUHMNNSA-N
XLogP0.90
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]tetrazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-[(E)-pent-3-enyl]tetrazolo[1,5-a]pyrazin-5-amine (CID 115628530) is N-[(E)-pent-3-enyl]tetrazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-[(E)-pent-3-enyl]tetrazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-[(E)-pent-3-enyl]tetrazolo[1,5-a]pyrazin-5-amine is C/C=C/CCNc1cncc2nnnn12.
What is the InChIKey of N-[(E)-pent-3-enyl]tetrazolo[1,5-a]pyrazin-5-amine?
The InChIKey is DVPGHFURCNLXEF-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H12N6/c1-2-3-4-5-11-8-6-10-7-9-12-13-14-15(8)9/h2-3,6-7,11H,4-5H2,1H3/b3-2+.
What are the key properties of N-[(E)-pent-3-enyl]tetrazolo[1,5-a]pyrazin-5-amine?
N-[(E)-pent-3-enyl]tetrazolo[1,5-a]pyrazin-5-amine has a molecular weight of 204.24 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]tetrazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 115628530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).