5-(3-methylimidazol-4-yl)-2H-tetrazole

C5H6N6 — CID 82896184

IUPAC5-(3-methylimidazol-4-yl)-2H-tetrazole
SMILESCn1cncc1-c1nn[nH]n1
InChIInChI=1S/C5H6N6/c1-11-3-6-2-4(11)5-7-9-10-8-5/h2-3H,1H3,(H,7,8,9,10)
InChIKeyDQKVZXPVSFOONE-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.40
Rot. Bonds1

About 5-(3-methylimidazol-4-yl)-2H-tetrazole

5-(3-methylimidazol-4-yl)-2H-tetrazole (PubChem CID 82896184) has the molecular formula C5H6N6 and a molecular weight of 150.14 g/mol. Its IUPAC name is 5-(3-methylimidazol-4-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3-methylimidazol-4-yl)-2H-tetrazole
PubChem CID82896184
Molecular FormulaC5H6N6
Molecular Weight150.14 g/mol
Exact Mass150.07
IUPAC Name5-(3-methylimidazol-4-yl)-2H-tetrazole
SMILESCn1cncc1-c1nn[nH]n1
InChIInChI=1S/C5H6N6/c1-11-3-6-2-4(11)5-7-9-10-8-5/h2-3H,1H3,(H,7,8,9,10)
InChIKeyDQKVZXPVSFOONE-UHFFFAOYSA-N
XLogP-0.40
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylimidazol-4-yl)-2H-tetrazole?
The IUPAC name of 5-(3-methylimidazol-4-yl)-2H-tetrazole (CID 82896184) is 5-(3-methylimidazol-4-yl)-2H-tetrazole.
What is the SMILES notation for 5-(3-methylimidazol-4-yl)-2H-tetrazole?
The canonical SMILES for 5-(3-methylimidazol-4-yl)-2H-tetrazole is Cn1cncc1-c1nn[nH]n1.
What is the InChIKey of 5-(3-methylimidazol-4-yl)-2H-tetrazole?
The InChIKey is DQKVZXPVSFOONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6/c1-11-3-6-2-4(11)5-7-9-10-8-5/h2-3H,1H3,(H,7,8,9,10).
What are the key properties of 5-(3-methylimidazol-4-yl)-2H-tetrazole?
5-(3-methylimidazol-4-yl)-2H-tetrazole has a molecular weight of 150.14 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylimidazol-4-yl)-2H-tetrazole is sourced from PubChem (CID 82896184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).