2-(1-methylimidazol-4-yl)-4-(2H-tetrazol-5-yl)pyridine

C10H9N7 — CID 90407594

IUPAC2-(1-methylimidazol-4-yl)-4-(2H-tetrazol-5-yl)pyridine
SMILESCn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
InChIInChI=1S/C10H9N7/c1-17-5-9(12-6-17)8-4-7(2-3-11-8)10-13-15-16-14-10/h2-6H,1H3,(H,13,14,15,16)
InChIKeyJYEUQFOUZAUNTD-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.66
Rot. Bonds2

About 2-(1-methylimidazol-4-yl)-4-(2H-tetrazol-5-yl)pyridine

2-(1-methylimidazol-4-yl)-4-(2H-tetrazol-5-yl)pyridine (PubChem CID 90407594) has the molecular formula C10H9N7 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-(1-methylimidazol-4-yl)-4-(2H-tetrazol-5-yl)pyridine.

Molecular Properties

Compound Name2-(1-methylimidazol-4-yl)-4-(2H-tetrazol-5-yl)pyridine
PubChem CID90407594
Molecular FormulaC10H9N7
Molecular Weight227.23 g/mol
Exact Mass227.09
IUPAC Name2-(1-methylimidazol-4-yl)-4-(2H-tetrazol-5-yl)pyridine
SMILESCn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
InChIInChI=1S/C10H9N7/c1-17-5-9(12-6-17)8-4-7(2-3-11-8)10-13-15-16-14-10/h2-6H,1H3,(H,13,14,15,16)
InChIKeyJYEUQFOUZAUNTD-UHFFFAOYSA-N
XLogP0.66
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-4-yl)-4-(2H-tetrazol-5-yl)pyridine?
The IUPAC name of 2-(1-methylimidazol-4-yl)-4-(2H-tetrazol-5-yl)pyridine (CID 90407594) is 2-(1-methylimidazol-4-yl)-4-(2H-tetrazol-5-yl)pyridine.
What is the SMILES notation for 2-(1-methylimidazol-4-yl)-4-(2H-tetrazol-5-yl)pyridine?
The canonical SMILES for 2-(1-methylimidazol-4-yl)-4-(2H-tetrazol-5-yl)pyridine is Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1.
What is the InChIKey of 2-(1-methylimidazol-4-yl)-4-(2H-tetrazol-5-yl)pyridine?
The InChIKey is JYEUQFOUZAUNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7/c1-17-5-9(12-6-17)8-4-7(2-3-11-8)10-13-15-16-14-10/h2-6H,1H3,(H,13,14,15,16).
What are the key properties of 2-(1-methylimidazol-4-yl)-4-(2H-tetrazol-5-yl)pyridine?
2-(1-methylimidazol-4-yl)-4-(2H-tetrazol-5-yl)pyridine has a molecular weight of 227.23 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-4-yl)-4-(2H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 90407594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).