5-(3H-diazirin-3-yl)-2-methyltetrazole

C3H4N6 — CID 131865476

IUPAC5-(3H-diazirin-3-yl)-2-methyltetrazole
SMILESCn1nnc(C2N=N2)n1
InChIInChI=1S/C3H4N6/c1-9-7-3(6-8-9)2-4-5-2/h2H,1H3
InChIKeyLNRQICVJBBYLTK-UHFFFAOYSA-N
MW124.11 g/mol
LogP-0.33
Rot. Bonds1

About 5-(3H-diazirin-3-yl)-2-methyltetrazole

5-(3H-diazirin-3-yl)-2-methyltetrazole (PubChem CID 131865476) has the molecular formula C3H4N6 and a molecular weight of 124.11 g/mol. Its IUPAC name is 5-(3H-diazirin-3-yl)-2-methyltetrazole.

Molecular Properties

Compound Name5-(3H-diazirin-3-yl)-2-methyltetrazole
PubChem CID131865476
Molecular FormulaC3H4N6
Molecular Weight124.11 g/mol
Exact Mass124.05
IUPAC Name5-(3H-diazirin-3-yl)-2-methyltetrazole
SMILESCn1nnc(C2N=N2)n1
InChIInChI=1S/C3H4N6/c1-9-7-3(6-8-9)2-4-5-2/h2H,1H3
InChIKeyLNRQICVJBBYLTK-UHFFFAOYSA-N
XLogP-0.33
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.11
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(3H-diazirin-3-yl)-2-methyltetrazole?
The IUPAC name of 5-(3H-diazirin-3-yl)-2-methyltetrazole (CID 131865476) is 5-(3H-diazirin-3-yl)-2-methyltetrazole.
What is the SMILES notation for 5-(3H-diazirin-3-yl)-2-methyltetrazole?
The canonical SMILES for 5-(3H-diazirin-3-yl)-2-methyltetrazole is Cn1nnc(C2N=N2)n1.
What is the InChIKey of 5-(3H-diazirin-3-yl)-2-methyltetrazole?
The InChIKey is LNRQICVJBBYLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N6/c1-9-7-3(6-8-9)2-4-5-2/h2H,1H3.
What are the key properties of 5-(3H-diazirin-3-yl)-2-methyltetrazole?
5-(3H-diazirin-3-yl)-2-methyltetrazole has a molecular weight of 124.11 g/mol, XLogP of -0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-diazirin-3-yl)-2-methyltetrazole is sourced from PubChem (CID 131865476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).