(4E)-4-ethylidene-3,9-dihydro-1,3,5,7-tetrazonine

C7H10N4 — CID 66791884

IUPAC(4E)-4-ethylidene-3,9-dihydro-1,3,5,7-tetrazonine
SMILESC/C=C1/N=C/N=C\C/N=C\N1
InChIInChI=1S/C7H10N4/c1-2-7-10-5-8-3-4-9-6-11-7/h2-3,5-6H,4H2,1H3,(H,9,11)/b7-2-,8-3-,10-5?
InChIKeyHFVIVZSAOYOURQ-WITAFBASSA-N
MW150.18 g/mol
LogP0.58
Rot. Bonds

About (4E)-4-ethylidene-3,9-dihydro-1,3,5,7-tetrazonine

(4E)-4-ethylidene-3,9-dihydro-1,3,5,7-tetrazonine (PubChem CID 66791884) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is (4E)-4-ethylidene-3,9-dihydro-1,3,5,7-tetrazonine.

Molecular Properties

Compound Name(4E)-4-ethylidene-3,9-dihydro-1,3,5,7-tetrazonine
PubChem CID66791884
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name(4E)-4-ethylidene-3,9-dihydro-1,3,5,7-tetrazonine
SMILESC/C=C1/N=C/N=C\C/N=C\N1
InChIInChI=1S/C7H10N4/c1-2-7-10-5-8-3-4-9-6-11-7/h2-3,5-6H,4H2,1H3,(H,9,11)/b7-2-,8-3-,10-5?
InChIKeyHFVIVZSAOYOURQ-WITAFBASSA-N
XLogP0.58
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethylidene-3,9-dihydro-1,3,5,7-tetrazonine?
The IUPAC name of (4E)-4-ethylidene-3,9-dihydro-1,3,5,7-tetrazonine (CID 66791884) is (4E)-4-ethylidene-3,9-dihydro-1,3,5,7-tetrazonine.
What is the SMILES notation for (4E)-4-ethylidene-3,9-dihydro-1,3,5,7-tetrazonine?
The canonical SMILES for (4E)-4-ethylidene-3,9-dihydro-1,3,5,7-tetrazonine is C/C=C1/N=C/N=C\C/N=C\N1.
What is the InChIKey of (4E)-4-ethylidene-3,9-dihydro-1,3,5,7-tetrazonine?
The InChIKey is HFVIVZSAOYOURQ-WITAFBASSA-N. The full InChI is InChI=1S/C7H10N4/c1-2-7-10-5-8-3-4-9-6-11-7/h2-3,5-6H,4H2,1H3,(H,9,11)/b7-2-,8-3-,10-5?.
What are the key properties of (4E)-4-ethylidene-3,9-dihydro-1,3,5,7-tetrazonine?
(4E)-4-ethylidene-3,9-dihydro-1,3,5,7-tetrazonine has a molecular weight of 150.18 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethylidene-3,9-dihydro-1,3,5,7-tetrazonine is sourced from PubChem (CID 66791884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).