2-methyl-3-[(2-methyltetrazol-5-yl)methyl]imidazole-4-carboxylic acid

C8H10N6O2 — CID 107043987

IUPAC2-methyl-3-[(2-methyltetrazol-5-yl)methyl]imidazole-4-carboxylic acid
SMILESCc1ncc(C(=O)O)n1Cc1nnn(C)n1
InChIInChI=1S/C8H10N6O2/c1-5-9-3-6(8(15)16)14(5)4-7-10-12-13(2)11-7/h3H,4H2,1-2H3,(H,15,16)
InChIKeyWLALGMNTDDYYPJ-UHFFFAOYSA-N
MW222.21 g/mol
LogP-0.54
Rot. Bonds3

About 2-methyl-3-[(2-methyltetrazol-5-yl)methyl]imidazole-4-carboxylic acid

2-methyl-3-[(2-methyltetrazol-5-yl)methyl]imidazole-4-carboxylic acid (PubChem CID 107043987) has the molecular formula C8H10N6O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-methyl-3-[(2-methyltetrazol-5-yl)methyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-methyltetrazol-5-yl)methyl]imidazole-4-carboxylic acid
PubChem CID107043987
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name2-methyl-3-[(2-methyltetrazol-5-yl)methyl]imidazole-4-carboxylic acid
SMILESCc1ncc(C(=O)O)n1Cc1nnn(C)n1
InChIInChI=1S/C8H10N6O2/c1-5-9-3-6(8(15)16)14(5)4-7-10-12-13(2)11-7/h3H,4H2,1-2H3,(H,15,16)
InChIKeyWLALGMNTDDYYPJ-UHFFFAOYSA-N
XLogP-0.54
TPSA98.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methyltetrazol-5-yl)methyl]imidazole-4-carboxylic acid?
The IUPAC name of 2-methyl-3-[(2-methyltetrazol-5-yl)methyl]imidazole-4-carboxylic acid (CID 107043987) is 2-methyl-3-[(2-methyltetrazol-5-yl)methyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-[(2-methyltetrazol-5-yl)methyl]imidazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-[(2-methyltetrazol-5-yl)methyl]imidazole-4-carboxylic acid is Cc1ncc(C(=O)O)n1Cc1nnn(C)n1.
What is the InChIKey of 2-methyl-3-[(2-methyltetrazol-5-yl)methyl]imidazole-4-carboxylic acid?
The InChIKey is WLALGMNTDDYYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2/c1-5-9-3-6(8(15)16)14(5)4-7-10-12-13(2)11-7/h3H,4H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-3-[(2-methyltetrazol-5-yl)methyl]imidazole-4-carboxylic acid?
2-methyl-3-[(2-methyltetrazol-5-yl)methyl]imidazole-4-carboxylic acid has a molecular weight of 222.21 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methyltetrazol-5-yl)methyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107043987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).