(2Z)-1,2,3,4,5-pentazacyclotrideca-2,4,13-triene

C8H15N5 — CID 173088356

IUPAC(2Z)-1,2,3,4,5-pentazacyclotrideca-2,4,13-triene
SMILESC1=N/N=N\N=N/CCCCCCC1
InChIInChI=1S/C8H15N5/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h7H,1-6,8H2/b9-7?,12-10-,13-11-
InChIKeySSNKILPXHOKHAI-SHQVQNDASA-N
MW181.24 g/mol
LogP3.15
Rot. Bonds

About (2Z)-1,2,3,4,5-pentazacyclotrideca-2,4,13-triene

(2Z)-1,2,3,4,5-pentazacyclotrideca-2,4,13-triene (PubChem CID 173088356) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is (2Z)-1,2,3,4,5-pentazacyclotrideca-2,4,13-triene.

Molecular Properties

Compound Name(2Z)-1,2,3,4,5-pentazacyclotrideca-2,4,13-triene
PubChem CID173088356
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name(2Z)-1,2,3,4,5-pentazacyclotrideca-2,4,13-triene
SMILESC1=N/N=N\N=N/CCCCCCC1
InChIInChI=1S/C8H15N5/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h7H,1-6,8H2/b9-7?,12-10-,13-11-
InChIKeySSNKILPXHOKHAI-SHQVQNDASA-N
XLogP3.15
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2Z)-1,2,3,4,5-pentazacyclotrideca-2,4,13-triene?
The IUPAC name of (2Z)-1,2,3,4,5-pentazacyclotrideca-2,4,13-triene (CID 173088356) is (2Z)-1,2,3,4,5-pentazacyclotrideca-2,4,13-triene.
What is the SMILES notation for (2Z)-1,2,3,4,5-pentazacyclotrideca-2,4,13-triene?
The canonical SMILES for (2Z)-1,2,3,4,5-pentazacyclotrideca-2,4,13-triene is C1=N/N=N\N=N/CCCCCCC1.
What is the InChIKey of (2Z)-1,2,3,4,5-pentazacyclotrideca-2,4,13-triene?
The InChIKey is SSNKILPXHOKHAI-SHQVQNDASA-N. The full InChI is InChI=1S/C8H15N5/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h7H,1-6,8H2/b9-7?,12-10-,13-11-.
What are the key properties of (2Z)-1,2,3,4,5-pentazacyclotrideca-2,4,13-triene?
(2Z)-1,2,3,4,5-pentazacyclotrideca-2,4,13-triene has a molecular weight of 181.24 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1,2,3,4,5-pentazacyclotrideca-2,4,13-triene is sourced from PubChem (CID 173088356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).