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

C7H11N7 — CID 127043940

IUPACN-butyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine
SMILESCCCCNc1nnc2nncn2n1
InChIInChI=1S/C7H11N7/c1-2-3-4-8-6-10-12-7-11-9-5-14(7)13-6/h5H,2-4H2,1H3,(H,8,13)
InChIKeyKDENRQFMDQXKLN-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.13
Rot. Bonds4

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

N-butyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine (PubChem CID 127043940) has the molecular formula C7H11N7 and a molecular weight of 193.21 g/mol. Its IUPAC name is N-butyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine.

Molecular Properties

Compound NameN-butyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine
PubChem CID127043940
Molecular FormulaC7H11N7
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC NameN-butyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine
SMILESCCCCNc1nnc2nncn2n1
InChIInChI=1S/C7H11N7/c1-2-3-4-8-6-10-12-7-11-9-5-14(7)13-6/h5H,2-4H2,1H3,(H,8,13)
InChIKeyKDENRQFMDQXKLN-UHFFFAOYSA-N
XLogP0.13
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)-1,2,5-oxadiazol-3-amine
CID 57408184
N-butyl-4,6-dimethoxypyrimidin-2-amine
CID 19737713
N-butylpyrimidin-2-amine;molecular hydrogen
CID 142213040
5-N-tert-butyl-3-N-butyl-1,2,4-triazine-3,5-diamine
CID 112940141
6-(3,5-dimethylpyrazol-1-yl)-N-undecyl-1,2,4,5-tetrazin-3-amine
CID 142764185
2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine
CID 118119736
N-butylpyrimidin-5-amine
CID 54172306
N-butyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 139203727
4-N-methyl-2-N-pentyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80785739
N-dodecyl-6-methylsulfanyl-1,2,4,5-tetrazin-3-amine
CID 110192063
2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane
CID 142941534
5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938570

Frequently Asked Questions

What is the IUPAC name of N-butyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine?
The IUPAC name of N-butyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine (CID 127043940) is N-butyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine.
What is the SMILES notation for N-butyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine?
The canonical SMILES for N-butyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine is CCCCNc1nnc2nncn2n1.
What is the InChIKey of N-butyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine?
The InChIKey is KDENRQFMDQXKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7/c1-2-3-4-8-6-10-12-7-11-9-5-14(7)13-6/h5H,2-4H2,1H3,(H,8,13).
What are the key properties of N-butyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine?
N-butyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine has a molecular weight of 193.21 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine is sourced from PubChem (CID 127043940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).