2-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]sulfanylacetic acid

C8H10N6O2S — CID 54951501

IUPAC2-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nnnn1CCn1cccn1
InChIInChI=1S/C8H10N6O2S/c15-7(16)6-17-8-10-11-12-14(8)5-4-13-3-1-2-9-13/h1-3H,4-6H2,(H,15,16)
InChIKeyGJMXQRVNGJDATE-UHFFFAOYSA-N
MW254.28 g/mol
LogP-0.25
Rot. Bonds6

About 2-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]sulfanylacetic acid

2-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]sulfanylacetic acid (PubChem CID 54951501) has the molecular formula C8H10N6O2S and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]sulfanylacetic acid
PubChem CID54951501
Molecular FormulaC8H10N6O2S
Molecular Weight254.28 g/mol
Exact Mass254.06
IUPAC Name2-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nnnn1CCn1cccn1
InChIInChI=1S/C8H10N6O2S/c15-7(16)6-17-8-10-11-12-14(8)5-4-13-3-1-2-9-13/h1-3H,4-6H2,(H,15,16)
InChIKeyGJMXQRVNGJDATE-UHFFFAOYSA-N
XLogP-0.25
TPSA98.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661
2-[1-[2-(1,3-thiazol-2-yl)ethyl]tetrazol-5-yl]sulfanylacetic acid
CID 55174450
2-[1-[3-(diethylamino)-3-oxopropyl]tetrazol-5-yl]sulfanylacetic acid
CID 113411581
2-[1-[3-(diethylamino)propyl]tetrazol-5-yl]sulfanylacetic acid
CID 29070562
2-[5-methyl-1-(2-pyrazol-1-ylethyl)imidazol-2-yl]sulfanylacetic acid
CID 81337647
2-[[5-propan-2-yl-4-(2-pyrazol-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 61460794
2-[1-[3-[methyl(propan-2-yl)amino]propyl]tetrazol-5-yl]sulfanylacetic acid
CID 114139243
2-[1-(quinolin-8-ylmethyl)tetrazol-5-yl]sulfanylacetic acid
CID 81428061
2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid
CID 54964497
2-[[4-propyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 114040691
5-tert-butyl-1-(2-pyrazol-1-ylethyl)triazole-4-carboxylic acid
CID 62059141
2-(pyrazol-1-ylmethylsulfanyl)acetic acid
CID 107421560

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]sulfanylacetic acid (CID 54951501) is 2-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]sulfanylacetic acid is O=C(O)CSc1nnnn1CCn1cccn1.
What is the InChIKey of 2-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]sulfanylacetic acid?
The InChIKey is GJMXQRVNGJDATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2S/c15-7(16)6-17-8-10-11-12-14(8)5-4-13-3-1-2-9-13/h1-3H,4-6H2,(H,15,16).
What are the key properties of 2-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]sulfanylacetic acid?
2-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]sulfanylacetic acid has a molecular weight of 254.28 g/mol, XLogP of -0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]sulfanylacetic acid is sourced from PubChem (CID 54951501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).