5-(1H-imidazol-2-ylmethyl)-2H-tetrazole

C5H6N6 — CID 3048690

IUPAC5-(1H-imidazol-2-ylmethyl)-2H-tetrazole
SMILESc1c[nH]c(Cc2nn[nH]n2)n1
InChIInChI=1S/C5H6N6/c1-2-7-4(6-1)3-5-8-10-11-9-5/h1-2H,3H2,(H,6,7)(H,8,9,10,11)
InChIKeyPSQYDSJYOAXUHY-UHFFFAOYSA-N
MW150.15 g/mol
LogP-0.49
Rot. Bonds2

About 5-(1H-imidazol-2-ylmethyl)-2H-tetrazole

5-(1H-imidazol-2-ylmethyl)-2H-tetrazole (PubChem CID 3048690) has the molecular formula C5H6N6 and a molecular weight of 150.15 g/mol. Its IUPAC name is 5-(1H-imidazol-2-ylmethyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(1H-imidazol-2-ylmethyl)-2H-tetrazole
PubChem CID3048690
Molecular FormulaC5H6N6
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Name5-(1H-imidazol-2-ylmethyl)-2H-tetrazole
SMILESc1c[nH]c(Cc2nn[nH]n2)n1
InChIInChI=1S/C5H6N6/c1-2-7-4(6-1)3-5-8-10-11-9-5/h1-2H,3H2,(H,6,7)(H,8,9,10,11)
InChIKeyPSQYDSJYOAXUHY-UHFFFAOYSA-N
XLogP-0.49
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-ylmethyl)-2H-tetrazole?
The IUPAC name of 5-(1H-imidazol-2-ylmethyl)-2H-tetrazole (CID 3048690) is 5-(1H-imidazol-2-ylmethyl)-2H-tetrazole.
What is the SMILES notation for 5-(1H-imidazol-2-ylmethyl)-2H-tetrazole?
The canonical SMILES for 5-(1H-imidazol-2-ylmethyl)-2H-tetrazole is c1c[nH]c(Cc2nn[nH]n2)n1.
What is the InChIKey of 5-(1H-imidazol-2-ylmethyl)-2H-tetrazole?
The InChIKey is PSQYDSJYOAXUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6/c1-2-7-4(6-1)3-5-8-10-11-9-5/h1-2H,3H2,(H,6,7)(H,8,9,10,11).
What are the key properties of 5-(1H-imidazol-2-ylmethyl)-2H-tetrazole?
5-(1H-imidazol-2-ylmethyl)-2H-tetrazole has a molecular weight of 150.15 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-ylmethyl)-2H-tetrazole is sourced from PubChem (CID 3048690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).