(5-methyltetrazol-1-yl)-(tetrazol-1-yl)methanone

C4H4N8O — CID 87803805

IUPAC(5-methyltetrazol-1-yl)-(tetrazol-1-yl)methanone
SMILESCc1nnnn1C(=O)n1cnnn1
InChIInChI=1S/C4H4N8O/c1-3-6-8-10-12(3)4(13)11-2-5-7-9-11/h2H,1H3
InChIKeyIXQFTSPKACYPDH-UHFFFAOYSA-N
MW180.13 g/mol
LogP-1.52
Rot. Bonds

About (5-methyltetrazol-1-yl)-(tetrazol-1-yl)methanone

(5-methyltetrazol-1-yl)-(tetrazol-1-yl)methanone (PubChem CID 87803805) has the molecular formula C4H4N8O and a molecular weight of 180.13 g/mol. Its IUPAC name is (5-methyltetrazol-1-yl)-(tetrazol-1-yl)methanone.

Molecular Properties

Compound Name(5-methyltetrazol-1-yl)-(tetrazol-1-yl)methanone
PubChem CID87803805
Molecular FormulaC4H4N8O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name(5-methyltetrazol-1-yl)-(tetrazol-1-yl)methanone
SMILESCc1nnnn1C(=O)n1cnnn1
InChIInChI=1S/C4H4N8O/c1-3-6-8-10-12(3)4(13)11-2-5-7-9-11/h2H,1H3
InChIKeyIXQFTSPKACYPDH-UHFFFAOYSA-N
XLogP-1.52
TPSA104.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 5-1.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-methyltetrazol-1-yl)-(tetrazol-1-yl)methanone?
The IUPAC name of (5-methyltetrazol-1-yl)-(tetrazol-1-yl)methanone (CID 87803805) is (5-methyltetrazol-1-yl)-(tetrazol-1-yl)methanone.
What is the SMILES notation for (5-methyltetrazol-1-yl)-(tetrazol-1-yl)methanone?
The canonical SMILES for (5-methyltetrazol-1-yl)-(tetrazol-1-yl)methanone is Cc1nnnn1C(=O)n1cnnn1.
What is the InChIKey of (5-methyltetrazol-1-yl)-(tetrazol-1-yl)methanone?
The InChIKey is IXQFTSPKACYPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N8O/c1-3-6-8-10-12(3)4(13)11-2-5-7-9-11/h2H,1H3.
What are the key properties of (5-methyltetrazol-1-yl)-(tetrazol-1-yl)methanone?
(5-methyltetrazol-1-yl)-(tetrazol-1-yl)methanone has a molecular weight of 180.13 g/mol, XLogP of -1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyltetrazol-1-yl)-(tetrazol-1-yl)methanone is sourced from PubChem (CID 87803805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).