1-[3-(1-methyltetrazol-5-yl)propyl]imidazole-2-carboxylic acid

C9H12N6O2 — CID 151938082

IUPAC1-[3-(1-methyltetrazol-5-yl)propyl]imidazole-2-carboxylic acid
SMILESCn1nnnc1CCCn1ccnc1C(=O)O
InChIInChI=1S/C9H12N6O2/c1-14-7(11-12-13-14)3-2-5-15-6-4-10-8(15)9(16)17/h4,6H,2-3,5H2,1H3,(H,16,17)
InChIKeyTUBLGVVWAAFYEF-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.26
Rot. Bonds5

About 1-[3-(1-methyltetrazol-5-yl)propyl]imidazole-2-carboxylic acid

1-[3-(1-methyltetrazol-5-yl)propyl]imidazole-2-carboxylic acid (PubChem CID 151938082) has the molecular formula C9H12N6O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-[3-(1-methyltetrazol-5-yl)propyl]imidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(1-methyltetrazol-5-yl)propyl]imidazole-2-carboxylic acid
PubChem CID151938082
Molecular FormulaC9H12N6O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Name1-[3-(1-methyltetrazol-5-yl)propyl]imidazole-2-carboxylic acid
SMILESCn1nnnc1CCCn1ccnc1C(=O)O
InChIInChI=1S/C9H12N6O2/c1-14-7(11-12-13-14)3-2-5-15-6-4-10-8(15)9(16)17/h4,6H,2-3,5H2,1H3,(H,16,17)
InChIKeyTUBLGVVWAAFYEF-UHFFFAOYSA-N
XLogP-0.26
TPSA98.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(4-hydroxyphenyl)propyl]imidazole-2-carboxylic acid;hydrate
CID 13478007
1-[2-(4-chlorophenyl)ethyl]imidazole-2-carboxylic acid
CID 69295233
1-(3-hydroxypropyl)imidazole-2-carboxamide
CID 173085384
1-[1-(2-hydroxyethyl)imidazol-2-yl]ethanone
CID 91602067
1-[1-(2-sulfanylethyl)imidazol-2-yl]ethanone
CID 143284273
1-(cyclopentylmethyl)imidazole-2-carboxylic acid
CID 84665405
methyl 1-butylimidazole-2-carboxylate
CID 137346516
5-(2-chloroethyl)-1-methyltetrazole
CID 12595134
2-(1-methyltetrazol-5-yl)ethanethioic S-acid
CID 20511253
1-(1-propylimidazol-2-yl)pentan-1-one
CID 79404906
(2Z)-2-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2-hydroxyiminoacetic acid
CID 137315757
1,2-di(pentadecyl)imidazole
CID 69388452

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methyltetrazol-5-yl)propyl]imidazole-2-carboxylic acid?
The IUPAC name of 1-[3-(1-methyltetrazol-5-yl)propyl]imidazole-2-carboxylic acid (CID 151938082) is 1-[3-(1-methyltetrazol-5-yl)propyl]imidazole-2-carboxylic acid.
What is the SMILES notation for 1-[3-(1-methyltetrazol-5-yl)propyl]imidazole-2-carboxylic acid?
The canonical SMILES for 1-[3-(1-methyltetrazol-5-yl)propyl]imidazole-2-carboxylic acid is Cn1nnnc1CCCn1ccnc1C(=O)O.
What is the InChIKey of 1-[3-(1-methyltetrazol-5-yl)propyl]imidazole-2-carboxylic acid?
The InChIKey is TUBLGVVWAAFYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2/c1-14-7(11-12-13-14)3-2-5-15-6-4-10-8(15)9(16)17/h4,6H,2-3,5H2,1H3,(H,16,17).
What are the key properties of 1-[3-(1-methyltetrazol-5-yl)propyl]imidazole-2-carboxylic acid?
1-[3-(1-methyltetrazol-5-yl)propyl]imidazole-2-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methyltetrazol-5-yl)propyl]imidazole-2-carboxylic acid is sourced from PubChem (CID 151938082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).