2,3,8,9-tetrahydro-1H-1,4,7-triazonine

C6H11N3 — CID 56993385

IUPAC2,3,8,9-tetrahydro-1H-1,4,7-triazonine
SMILESC1=N\CCNCC\N=C/1
InChIInChI=1S/C6H11N3/c1-2-8-5-6-9-4-3-7-1/h1-2,9H,3-6H2/b7-1-,8-2-
InChIKeyVHXMPIBDNVBTGK-NDBDHSCESA-N
MW125.17 g/mol
LogP-0.27
Rot. Bonds

About 2,3,8,9-tetrahydro-1H-1,4,7-triazonine

2,3,8,9-tetrahydro-1H-1,4,7-triazonine (PubChem CID 56993385) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2,3,8,9-tetrahydro-1H-1,4,7-triazonine.

Molecular Properties

Compound Name2,3,8,9-tetrahydro-1H-1,4,7-triazonine
PubChem CID56993385
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2,3,8,9-tetrahydro-1H-1,4,7-triazonine
SMILESC1=N\CCNCC\N=C/1
InChIInChI=1S/C6H11N3/c1-2-8-5-6-9-4-3-7-1/h1-2,9H,3-6H2/b7-1-,8-2-
InChIKeyVHXMPIBDNVBTGK-NDBDHSCESA-N
XLogP-0.27
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(29),2,9,11(30),12,14,16,23,25,27-decaene
CID 12068296
calcium;4,5-dihydro-1H-imidazole;hydride
CID 174554076
1-methyl-1,4,7,10-tetrazacyclododec-7-ene
CID 145214959
1,4,7,10,13-pentazacyclopentadeca-9,13-diene
CID 57230608
4,5-dihydro-1H-imidazole;iron
CID 159609586
4,5-dihydro-1H-imidazole;hydrate
CID 22101892
13,27-dimethyl-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),2,9,11,13,15(30),16,23,25(29),26-decaene-29,30-dithiol
CID 136903434
bis(4,5-dihydro-1H-imidazole);ethene
CID 67005701
4,5-dihydro-1H-imidazole;hydrazine
CID 70498627
1,4,7,10,13,16,19,22-octazacyclotetracosane
CID 6395032
aziridine;polane
CID 173008983
2,8-diazaspiro[4.5]dec-1-ene
CID 118457648

Frequently Asked Questions

What is the IUPAC name of 2,3,8,9-tetrahydro-1H-1,4,7-triazonine?
The IUPAC name of 2,3,8,9-tetrahydro-1H-1,4,7-triazonine (CID 56993385) is 2,3,8,9-tetrahydro-1H-1,4,7-triazonine.
What is the SMILES notation for 2,3,8,9-tetrahydro-1H-1,4,7-triazonine?
The canonical SMILES for 2,3,8,9-tetrahydro-1H-1,4,7-triazonine is C1=N\CCNCC\N=C/1.
What is the InChIKey of 2,3,8,9-tetrahydro-1H-1,4,7-triazonine?
The InChIKey is VHXMPIBDNVBTGK-NDBDHSCESA-N. The full InChI is InChI=1S/C6H11N3/c1-2-8-5-6-9-4-3-7-1/h1-2,9H,3-6H2/b7-1-,8-2-.
What are the key properties of 2,3,8,9-tetrahydro-1H-1,4,7-triazonine?
2,3,8,9-tetrahydro-1H-1,4,7-triazonine has a molecular weight of 125.17 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,8,9-tetrahydro-1H-1,4,7-triazonine is sourced from PubChem (CID 56993385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).