N-(5-methylsulfanylpentyl)tetrazolo[1,5-a]pyrazin-5-amine

C10H16N6S — CID 104925611

IUPACN-(5-methylsulfanylpentyl)tetrazolo[1,5-a]pyrazin-5-amine
SMILESCSCCCCCNc1cncc2nnnn12
InChIInChI=1S/C10H16N6S/c1-17-6-4-2-3-5-12-9-7-11-8-10-13-14-15-16(9)10/h7-8,12H,2-6H2,1H3
InChIKeyDBCUSKWIVYVWDH-UHFFFAOYSA-N
MW252.35 g/mol
LogP1.46
Rot. Bonds7

About N-(5-methylsulfanylpentyl)tetrazolo[1,5-a]pyrazin-5-amine

N-(5-methylsulfanylpentyl)tetrazolo[1,5-a]pyrazin-5-amine (PubChem CID 104925611) has the molecular formula C10H16N6S and a molecular weight of 252.35 g/mol. Its IUPAC name is N-(5-methylsulfanylpentyl)tetrazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-(5-methylsulfanylpentyl)tetrazolo[1,5-a]pyrazin-5-amine
PubChem CID104925611
Molecular FormulaC10H16N6S
Molecular Weight252.35 g/mol
Exact Mass252.12
IUPAC NameN-(5-methylsulfanylpentyl)tetrazolo[1,5-a]pyrazin-5-amine
SMILESCSCCCCCNc1cncc2nnnn12
InChIInChI=1S/C10H16N6S/c1-17-6-4-2-3-5-12-9-7-11-8-10-13-14-15-16(9)10/h7-8,12H,2-6H2,1H3
InChIKeyDBCUSKWIVYVWDH-UHFFFAOYSA-N
XLogP1.46
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanylpentyl)tetrazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-(5-methylsulfanylpentyl)tetrazolo[1,5-a]pyrazin-5-amine (CID 104925611) is N-(5-methylsulfanylpentyl)tetrazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-(5-methylsulfanylpentyl)tetrazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-(5-methylsulfanylpentyl)tetrazolo[1,5-a]pyrazin-5-amine is CSCCCCCNc1cncc2nnnn12.
What is the InChIKey of N-(5-methylsulfanylpentyl)tetrazolo[1,5-a]pyrazin-5-amine?
The InChIKey is DBCUSKWIVYVWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6S/c1-17-6-4-2-3-5-12-9-7-11-8-10-13-14-15-16(9)10/h7-8,12H,2-6H2,1H3.
What are the key properties of N-(5-methylsulfanylpentyl)tetrazolo[1,5-a]pyrazin-5-amine?
N-(5-methylsulfanylpentyl)tetrazolo[1,5-a]pyrazin-5-amine has a molecular weight of 252.35 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanylpentyl)tetrazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 104925611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).