5-methyl-2-nitrosotetrazole

C2H3N5O — CID 102424679

IUPAC5-methyl-2-nitrosotetrazole
SMILESCc1nnn(N=O)n1
InChIInChI=1S/C2H3N5O/c1-2-3-5-7(4-2)6-8/h1H3
InChIKeyYJFNXDANSVAWLG-UHFFFAOYSA-N
MW113.08 g/mol
LogP-0.49
Rot. Bonds1

About 5-methyl-2-nitrosotetrazole

5-methyl-2-nitrosotetrazole (PubChem CID 102424679) has the molecular formula C2H3N5O and a molecular weight of 113.08 g/mol. Its IUPAC name is 5-methyl-2-nitrosotetrazole.

Molecular Properties

Compound Name5-methyl-2-nitrosotetrazole
PubChem CID102424679
Molecular FormulaC2H3N5O
Molecular Weight113.08 g/mol
Exact Mass113.03
IUPAC Name5-methyl-2-nitrosotetrazole
SMILESCc1nnn(N=O)n1
InChIInChI=1S/C2H3N5O/c1-2-3-5-7(4-2)6-8/h1H3
InChIKeyYJFNXDANSVAWLG-UHFFFAOYSA-N
XLogP-0.49
TPSA73.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.08
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-nitrosotetrazole?
The IUPAC name of 5-methyl-2-nitrosotetrazole (CID 102424679) is 5-methyl-2-nitrosotetrazole.
What is the SMILES notation for 5-methyl-2-nitrosotetrazole?
The canonical SMILES for 5-methyl-2-nitrosotetrazole is Cc1nnn(N=O)n1.
What is the InChIKey of 5-methyl-2-nitrosotetrazole?
The InChIKey is YJFNXDANSVAWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N5O/c1-2-3-5-7(4-2)6-8/h1H3.
What are the key properties of 5-methyl-2-nitrosotetrazole?
5-methyl-2-nitrosotetrazole has a molecular weight of 113.08 g/mol, XLogP of -0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-nitrosotetrazole is sourced from PubChem (CID 102424679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).