1-methyl-N-[(4-methylphenyl)sulfanylmethyl]tetrazol-5-amine

C10H13N5S — CID 141436823

IUPAC1-methyl-N-[(4-methylphenyl)sulfanylmethyl]tetrazol-5-amine
SMILESCc1ccc(SCNc2nnnn2C)cc1
InChIInChI=1S/C10H13N5S/c1-8-3-5-9(6-4-8)16-7-11-10-12-13-14-15(10)2/h3-6H,7H2,1-2H3,(H,11,12,14)
InChIKeyRHXOQHNYFZUEJJ-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.68
Rot. Bonds4

About 1-methyl-N-[(4-methylphenyl)sulfanylmethyl]tetrazol-5-amine

1-methyl-N-[(4-methylphenyl)sulfanylmethyl]tetrazol-5-amine (PubChem CID 141436823) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 1-methyl-N-[(4-methylphenyl)sulfanylmethyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-methylphenyl)sulfanylmethyl]tetrazol-5-amine
PubChem CID141436823
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name1-methyl-N-[(4-methylphenyl)sulfanylmethyl]tetrazol-5-amine
SMILESCc1ccc(SCNc2nnnn2C)cc1
InChIInChI=1S/C10H13N5S/c1-8-3-5-9(6-4-8)16-7-11-10-12-13-14-15(10)2/h3-6H,7H2,1-2H3,(H,11,12,14)
InChIKeyRHXOQHNYFZUEJJ-UHFFFAOYSA-N
XLogP1.68
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-methyl-N-[(4-methylphenyl)sulfanylmethyl]tetrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methylphenyl)sulfanylmethyl]tetrazol-5-amine?
The IUPAC name of 1-methyl-N-[(4-methylphenyl)sulfanylmethyl]tetrazol-5-amine (CID 141436823) is 1-methyl-N-[(4-methylphenyl)sulfanylmethyl]tetrazol-5-amine.
What is the SMILES notation for 1-methyl-N-[(4-methylphenyl)sulfanylmethyl]tetrazol-5-amine?
The canonical SMILES for 1-methyl-N-[(4-methylphenyl)sulfanylmethyl]tetrazol-5-amine is Cc1ccc(SCNc2nnnn2C)cc1.
What is the InChIKey of 1-methyl-N-[(4-methylphenyl)sulfanylmethyl]tetrazol-5-amine?
The InChIKey is RHXOQHNYFZUEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-8-3-5-9(6-4-8)16-7-11-10-12-13-14-15(10)2/h3-6H,7H2,1-2H3,(H,11,12,14).
What are the key properties of 1-methyl-N-[(4-methylphenyl)sulfanylmethyl]tetrazol-5-amine?
1-methyl-N-[(4-methylphenyl)sulfanylmethyl]tetrazol-5-amine has a molecular weight of 235.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methylphenyl)sulfanylmethyl]tetrazol-5-amine is sourced from PubChem (CID 141436823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).