N-cyclopentyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine

C8H11N7 — CID 127045330

IUPACN-cyclopentyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine
SMILESc1nnc2nnc(NC3CCCC3)nn12
InChIInChI=1S/C8H11N7/c1-2-4-6(3-1)10-7-11-13-8-12-9-5-15(8)14-7/h5-6H,1-4H2,(H,10,14)
InChIKeyYOAJZSCJLSNJHW-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.27
Rot. Bonds2

About N-cyclopentyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine

N-cyclopentyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine (PubChem CID 127045330) has the molecular formula C8H11N7 and a molecular weight of 205.22 g/mol. Its IUPAC name is N-cyclopentyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine.

Molecular Properties

Compound NameN-cyclopentyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine
PubChem CID127045330
Molecular FormulaC8H11N7
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC NameN-cyclopentyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine
SMILESc1nnc2nnc(NC3CCCC3)nn12
InChIInChI=1S/C8H11N7/c1-2-4-6(3-1)10-7-11-13-8-12-9-5-15(8)14-7/h5-6H,1-4H2,(H,10,14)
InChIKeyYOAJZSCJLSNJHW-UHFFFAOYSA-N
XLogP0.27
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine?
The IUPAC name of N-cyclopentyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine (CID 127045330) is N-cyclopentyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine.
What is the SMILES notation for N-cyclopentyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine?
The canonical SMILES for N-cyclopentyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine is c1nnc2nnc(NC3CCCC3)nn12.
What is the InChIKey of N-cyclopentyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine?
The InChIKey is YOAJZSCJLSNJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7/c1-2-4-6(3-1)10-7-11-13-8-12-9-5-15(8)14-7/h5-6H,1-4H2,(H,10,14).
What are the key properties of N-cyclopentyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine?
N-cyclopentyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine has a molecular weight of 205.22 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine is sourced from PubChem (CID 127045330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).