N-(3-fluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine

C7H9FN6 — CID 130504272

IUPACN-(3-fluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine
SMILESFCCCNc1cncc2nnnn12
InChIInChI=1S/C7H9FN6/c8-2-1-3-10-6-4-9-5-7-11-12-13-14(6)7/h4-5,10H,1-3H2
InChIKeyYQXJVALQXNITHU-UHFFFAOYSA-N
MW196.19 g/mol
LogP0.29
Rot. Bonds4

About N-(3-fluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine

N-(3-fluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine (PubChem CID 130504272) has the molecular formula C7H9FN6 and a molecular weight of 196.19 g/mol. Its IUPAC name is N-(3-fluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine
PubChem CID130504272
Molecular FormulaC7H9FN6
Molecular Weight196.19 g/mol
Exact Mass196.09
IUPAC NameN-(3-fluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine
SMILESFCCCNc1cncc2nnnn12
InChIInChI=1S/C7H9FN6/c8-2-1-3-10-6-4-9-5-7-11-12-13-14(6)7/h4-5,10H,1-3H2
InChIKeyYQXJVALQXNITHU-UHFFFAOYSA-N
XLogP0.29
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3-fluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-(3-fluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine (CID 130504272) is N-(3-fluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-(3-fluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-(3-fluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine is FCCCNc1cncc2nnnn12.
What is the InChIKey of N-(3-fluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine?
The InChIKey is YQXJVALQXNITHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN6/c8-2-1-3-10-6-4-9-5-7-11-12-13-14(6)7/h4-5,10H,1-3H2.
What are the key properties of N-(3-fluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine?
N-(3-fluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine has a molecular weight of 196.19 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 130504272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).