(1Z,6Z)-4,5-dihydrotriazocine

C5H7N3 — CID 87476378

IUPAC(1Z,6Z)-4,5-dihydrotriazocine
SMILESC1=C\CC/N=N\N=C/1
InChIInChI=1S/C5H7N3/c1-2-4-6-8-7-5-3-1/h1-2,4H,3,5H2/b2-1-,6-4-,8-7-
InChIKeyURWRQSCMDDCLGN-HUAKUOLKSA-N
MW109.13 g/mol
LogP1.38
Rot. Bonds

About (1Z,6Z)-4,5-dihydrotriazocine

(1Z,6Z)-4,5-dihydrotriazocine (PubChem CID 87476378) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is (1Z,6Z)-4,5-dihydrotriazocine.

Molecular Properties

Compound Name(1Z,6Z)-4,5-dihydrotriazocine
PubChem CID87476378
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name(1Z,6Z)-4,5-dihydrotriazocine
SMILESC1=C\CC/N=N\N=C/1
InChIInChI=1S/C5H7N3/c1-2-4-6-8-7-5-3-1/h1-2,4H,3,5H2/b2-1-,6-4-,8-7-
InChIKeyURWRQSCMDDCLGN-HUAKUOLKSA-N
XLogP1.38
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1Z,6Z)-4,5-dihydrotriazocine?
The IUPAC name of (1Z,6Z)-4,5-dihydrotriazocine (CID 87476378) is (1Z,6Z)-4,5-dihydrotriazocine.
What is the SMILES notation for (1Z,6Z)-4,5-dihydrotriazocine?
The canonical SMILES for (1Z,6Z)-4,5-dihydrotriazocine is C1=C\CC/N=N\N=C/1.
What is the InChIKey of (1Z,6Z)-4,5-dihydrotriazocine?
The InChIKey is URWRQSCMDDCLGN-HUAKUOLKSA-N. The full InChI is InChI=1S/C5H7N3/c1-2-4-6-8-7-5-3-1/h1-2,4H,3,5H2/b2-1-,6-4-,8-7-.
What are the key properties of (1Z,6Z)-4,5-dihydrotriazocine?
(1Z,6Z)-4,5-dihydrotriazocine has a molecular weight of 109.13 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,6Z)-4,5-dihydrotriazocine is sourced from PubChem (CID 87476378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).