1-methyltetrazole-5-carboxylic acid;2-methyltetrazole-5-carboxylic acid

C6H8N8O4 — CID 157240342

IUPAC1-methyltetrazole-5-carboxylic acid;2-methyltetrazole-5-carboxylic acid
SMILESCn1nnc(C(=O)O)n1.Cn1nnnc1C(=O)O
InChIInChI=1S/2C3H4N4O2/c1-7-2(3(8)9)4-5-6-7;1-7-5-2(3(8)9)4-6-7/h2*1H3,(H,8,9)
InChIKeyAVDDPNUHPPAIAD-UHFFFAOYSA-N
MW256.18 g/mol
LogP-2.18
Rot. Bonds2

About 1-methyltetrazole-5-carboxylic acid;2-methyltetrazole-5-carboxylic acid

1-methyltetrazole-5-carboxylic acid;2-methyltetrazole-5-carboxylic acid (PubChem CID 157240342) has the molecular formula C6H8N8O4 and a molecular weight of 256.18 g/mol. Its IUPAC name is 1-methyltetrazole-5-carboxylic acid;2-methyltetrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyltetrazole-5-carboxylic acid;2-methyltetrazole-5-carboxylic acid
PubChem CID157240342
Molecular FormulaC6H8N8O4
Molecular Weight256.18 g/mol
Exact Mass256.07
IUPAC Name1-methyltetrazole-5-carboxylic acid;2-methyltetrazole-5-carboxylic acid
SMILESCn1nnc(C(=O)O)n1.Cn1nnnc1C(=O)O
InChIInChI=1S/2C3H4N4O2/c1-7-2(3(8)9)4-5-6-7;1-7-5-2(3(8)9)4-6-7/h2*1H3,(H,8,9)
InChIKeyAVDDPNUHPPAIAD-UHFFFAOYSA-N
XLogP-2.18
TPSA161.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 5-2.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

methyl 2-methyltetrazole-5-carboxylate
CID 15098928
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CID 84648606
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2-amino-3-methyl-1-(1-methyltetrazol-5-yl)butan-1-one
CID 85132204
2-methyl-2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one
CID 130834256
(3-fluorophenyl)-(2-methyltetrazol-5-yl)methanone
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CID 138009047
1-[3-(1-methyltetrazol-5-yl)propyl]imidazole-2-carboxylic acid
CID 151938082
(E)-2-hydroxy-1-(2-methyltetrazol-5-yl)prop-1-ene-1-diazonium
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(6-methylpyridazin-3-yl)-(2-methyltetrazol-5-yl)methanone
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3-(4-fluorophenyl)-2-(2-methyltetrazol-5-yl)prop-2-enoic acid
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CID 131182144

Frequently Asked Questions

What is the IUPAC name of 1-methyltetrazole-5-carboxylic acid;2-methyltetrazole-5-carboxylic acid?
The IUPAC name of 1-methyltetrazole-5-carboxylic acid;2-methyltetrazole-5-carboxylic acid (CID 157240342) is 1-methyltetrazole-5-carboxylic acid;2-methyltetrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyltetrazole-5-carboxylic acid;2-methyltetrazole-5-carboxylic acid?
The canonical SMILES for 1-methyltetrazole-5-carboxylic acid;2-methyltetrazole-5-carboxylic acid is Cn1nnc(C(=O)O)n1.Cn1nnnc1C(=O)O.
What is the InChIKey of 1-methyltetrazole-5-carboxylic acid;2-methyltetrazole-5-carboxylic acid?
The InChIKey is AVDDPNUHPPAIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H4N4O2/c1-7-2(3(8)9)4-5-6-7;1-7-5-2(3(8)9)4-6-7/h2*1H3,(H,8,9).
What are the key properties of 1-methyltetrazole-5-carboxylic acid;2-methyltetrazole-5-carboxylic acid?
1-methyltetrazole-5-carboxylic acid;2-methyltetrazole-5-carboxylic acid has a molecular weight of 256.18 g/mol, XLogP of -2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyltetrazole-5-carboxylic acid;2-methyltetrazole-5-carboxylic acid is sourced from PubChem (CID 157240342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).