5-imidazol-1-yl-1-methyltetrazole

C5H6N6 — CID 63810065

IUPAC5-imidazol-1-yl-1-methyltetrazole
SMILESCn1nnnc1-n1ccnc1
InChIInChI=1S/C5H6N6/c1-10-5(7-8-9-10)11-3-2-6-4-11/h2-4H,1H3
InChIKeyKKTMWQPZEZRDCH-UHFFFAOYSA-N
MW150.15 g/mol
LogP-0.60
Rot. Bonds1

About 5-imidazol-1-yl-1-methyltetrazole

5-imidazol-1-yl-1-methyltetrazole (PubChem CID 63810065) has the molecular formula C5H6N6 and a molecular weight of 150.15 g/mol. Its IUPAC name is 5-imidazol-1-yl-1-methyltetrazole.

Molecular Properties

Compound Name5-imidazol-1-yl-1-methyltetrazole
PubChem CID63810065
Molecular FormulaC5H6N6
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Name5-imidazol-1-yl-1-methyltetrazole
SMILESCn1nnnc1-n1ccnc1
InChIInChI=1S/C5H6N6/c1-10-5(7-8-9-10)11-3-2-6-4-11/h2-4H,1H3
InChIKeyKKTMWQPZEZRDCH-UHFFFAOYSA-N
XLogP-0.60
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-1-methyltetrazole?
The IUPAC name of 5-imidazol-1-yl-1-methyltetrazole (CID 63810065) is 5-imidazol-1-yl-1-methyltetrazole.
What is the SMILES notation for 5-imidazol-1-yl-1-methyltetrazole?
The canonical SMILES for 5-imidazol-1-yl-1-methyltetrazole is Cn1nnnc1-n1ccnc1.
What is the InChIKey of 5-imidazol-1-yl-1-methyltetrazole?
The InChIKey is KKTMWQPZEZRDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6/c1-10-5(7-8-9-10)11-3-2-6-4-11/h2-4H,1H3.
What are the key properties of 5-imidazol-1-yl-1-methyltetrazole?
5-imidazol-1-yl-1-methyltetrazole has a molecular weight of 150.15 g/mol, XLogP of -0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-1-methyltetrazole is sourced from PubChem (CID 63810065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).