(1E,3Z,5E)-2,7,8,9-tetrahydro-1,2,4,5-tetrazecin-3-amine

C6H11N5 — CID 53338669

IUPAC(1E,3Z,5E)-2,7,8,9-tetrahydro-1,2,4,5-tetrazecin-3-amine
SMILESN/C1=N\N=C/CCC/C=N\N1
InChIInChI=1S/C6H11N5/c7-6-10-8-4-2-1-3-5-9-11-6/h4-5H,1-3H2,(H3,7,10,11)/b8-4-,9-5-
InChIKeyUJEKIHYLUFSMRH-XEQVNJCQSA-N
MW153.19 g/mol
LogP0.05
Rot. Bonds

About (1E,3Z,5E)-2,7,8,9-tetrahydro-1,2,4,5-tetrazecin-3-amine

(1E,3Z,5E)-2,7,8,9-tetrahydro-1,2,4,5-tetrazecin-3-amine (PubChem CID 53338669) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is (1E,3Z,5E)-2,7,8,9-tetrahydro-1,2,4,5-tetrazecin-3-amine.

Molecular Properties

Compound Name(1E,3Z,5E)-2,7,8,9-tetrahydro-1,2,4,5-tetrazecin-3-amine
PubChem CID53338669
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC Name(1E,3Z,5E)-2,7,8,9-tetrahydro-1,2,4,5-tetrazecin-3-amine
SMILESN/C1=N\N=C/CCC/C=N\N1
InChIInChI=1S/C6H11N5/c7-6-10-8-4-2-1-3-5-9-11-6/h4-5H,1-3H2,(H3,7,10,11)/b8-4-,9-5-
InChIKeyUJEKIHYLUFSMRH-XEQVNJCQSA-N
XLogP0.05
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-bis[(Z)-ethylideneamino]guanidine
CID 59268401
1,2-bis[(E)-ethylideneamino]guanidine
CID 91328518
1,3-bis[(E)-ethylideneamino]-2-[(Z)-ethylideneamino]guanidine
CID 146551379
2-(diaminomethylideneamino)-1-[(E)-2-iminoethylideneamino]guanidine
CID 146569362
1,2-Diaza-4-azoniacycloocta-3,4,8-trien-3-amine
CID 163746737
2-amino-1-[(E)-ethylideneamino]-3-(methylideneamino)guanidine
CID 173495216
1-(Butylideneamino)guanidine;hydrochloride
CID 176518846
1-(Propylideneamino)guanidine;hydrochloride
CID 176518847
1-[(E)-butylideneamino]guanidine
CID 176522987
1-(Propylideneamino)guanidine
CID 176526770
1-(Pentylideneamino)guanidine
CID 176526771
1-(Butylideneamino)guanidine
CID 176526774

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5E)-2,7,8,9-tetrahydro-1,2,4,5-tetrazecin-3-amine?
The IUPAC name of (1E,3Z,5E)-2,7,8,9-tetrahydro-1,2,4,5-tetrazecin-3-amine (CID 53338669) is (1E,3Z,5E)-2,7,8,9-tetrahydro-1,2,4,5-tetrazecin-3-amine.
What is the SMILES notation for (1E,3Z,5E)-2,7,8,9-tetrahydro-1,2,4,5-tetrazecin-3-amine?
The canonical SMILES for (1E,3Z,5E)-2,7,8,9-tetrahydro-1,2,4,5-tetrazecin-3-amine is N/C1=N\N=C/CCC/C=N\N1.
What is the InChIKey of (1E,3Z,5E)-2,7,8,9-tetrahydro-1,2,4,5-tetrazecin-3-amine?
The InChIKey is UJEKIHYLUFSMRH-XEQVNJCQSA-N. The full InChI is InChI=1S/C6H11N5/c7-6-10-8-4-2-1-3-5-9-11-6/h4-5H,1-3H2,(H3,7,10,11)/b8-4-,9-5-.
What are the key properties of (1E,3Z,5E)-2,7,8,9-tetrahydro-1,2,4,5-tetrazecin-3-amine?
(1E,3Z,5E)-2,7,8,9-tetrahydro-1,2,4,5-tetrazecin-3-amine has a molecular weight of 153.19 g/mol, XLogP of 0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5E)-2,7,8,9-tetrahydro-1,2,4,5-tetrazecin-3-amine is sourced from PubChem (CID 53338669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).