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

C6H9N7 — CID 127044216

IUPACN-propyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine
SMILESCCCNc1nnc2nncn2n1
InChIInChI=1S/C6H9N7/c1-2-3-7-5-9-11-6-10-8-4-13(6)12-5/h4H,2-3H2,1H3,(H,7,12)
InChIKeyHSYZPKKWMREOKZ-UHFFFAOYSA-N
MW179.19 g/mol
LogP-0.26
Rot. Bonds3

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

N-propyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine (PubChem CID 127044216) has the molecular formula C6H9N7 and a molecular weight of 179.19 g/mol. Its IUPAC name is N-propyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine.

Molecular Properties

Compound NameN-propyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine
PubChem CID127044216
Molecular FormulaC6H9N7
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC NameN-propyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine
SMILESCCCNc1nnc2nncn2n1
InChIInChI=1S/C6H9N7/c1-2-3-7-5-9-11-6-10-8-4-13(6)12-5/h4H,2-3H2,1H3,(H,7,12)
InChIKeyHSYZPKKWMREOKZ-UHFFFAOYSA-N
XLogP-0.26
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 5-0.26
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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Related Compounds

N-cyclohexyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine
CID 127043905
N-butyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine
CID 127043940
N-cyclopentyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine
CID 127045330
N,N'-Diethyl-N''-methyl-N''-[1,2,4]triazol-4-yl-[1,3,5]triazine-2,4,6-triamine
CID 652104
4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 135704509
4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine hydrochloride
CID 135988476
6-methyl-4H,5H,6H,7H-(1,2,4)triazolo(1,5-a)pyrimidine
CID 136316570
2-N,7-N-diethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,5,7-triamine
CID 11053238
2-N,5-N-diethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,5,7-triamine
CID 10955150
7-N-[3-(dimethylamino)propyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 11107347
N,N-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine
CID 135682424
4h,5h,6h,7h-[1,2,4]Triazolo[1,5-a]pyrimidin-2-amine
CID 136300218

Frequently Asked Questions

What is the IUPAC name of N-propyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine?
The IUPAC name of N-propyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine (CID 127044216) is N-propyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine.
What is the SMILES notation for N-propyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine?
The canonical SMILES for N-propyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine is CCCNc1nnc2nncn2n1.
What is the InChIKey of N-propyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine?
The InChIKey is HSYZPKKWMREOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N7/c1-2-3-7-5-9-11-6-10-8-4-13(6)12-5/h4H,2-3H2,1H3,(H,7,12).
What are the key properties of N-propyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine?
N-propyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine has a molecular weight of 179.19 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine is sourced from PubChem (CID 127044216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).