3-amino-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide

C10H12N6OS — CID 43376992

IUPAC3-amino-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide
SMILESCn1nnnc1SCc1ccc(C(N)=O)cc1N
InChIInChI=1S/C10H12N6OS/c1-16-10(13-14-15-16)18-5-7-3-2-6(9(12)17)4-8(7)11/h2-4H,5,11H2,1H3,(H2,12,17)
InChIKeyHQAAHZAMFYOQDO-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.18
Rot. Bonds4

About 3-amino-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide

3-amino-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide (PubChem CID 43376992) has the molecular formula C10H12N6OS and a molecular weight of 264.31 g/mol. Its IUPAC name is 3-amino-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide
PubChem CID43376992
Molecular FormulaC10H12N6OS
Molecular Weight264.31 g/mol
Exact Mass264.08
IUPAC Name3-amino-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide
SMILESCn1nnnc1SCc1ccc(C(N)=O)cc1N
InChIInChI=1S/C10H12N6OS/c1-16-10(13-14-15-16)18-5-7-3-2-6(9(12)17)4-8(7)11/h2-4H,5,11H2,1H3,(H2,12,17)
InChIKeyHQAAHZAMFYOQDO-UHFFFAOYSA-N
XLogP0.18
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide?
The IUPAC name of 3-amino-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide (CID 43376992) is 3-amino-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for 3-amino-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide?
The canonical SMILES for 3-amino-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide is Cn1nnnc1SCc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide?
The InChIKey is HQAAHZAMFYOQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6OS/c1-16-10(13-14-15-16)18-5-7-3-2-6(9(12)17)4-8(7)11/h2-4H,5,11H2,1H3,(H2,12,17).
What are the key properties of 3-amino-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide?
3-amino-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide has a molecular weight of 264.31 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 43376992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).