4-pyrazin-2-yl-3,5,6-triazatricyclo[7.3.1.03,7]trideca-4,6-diene

C14H17N5 — CID 166389569

IUPAC4-pyrazin-2-yl-3,5,6-triazatricyclo[7.3.1.03,7]trideca-4,6-diene
SMILESc1cnc(-c2nnc3n2CC2CCCC(C3)C2)cn1
InChIInChI=1S/C14H17N5/c1-2-10-6-11(3-1)9-19-13(7-10)17-18-14(19)12-8-15-4-5-16-12/h4-5,8,10-11H,1-3,6-7,9H2
InChIKeyCJXJHBBQMFPZRI-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.10
Rot. Bonds1

About 4-pyrazin-2-yl-3,5,6-triazatricyclo[7.3.1.03,7]trideca-4,6-diene

4-pyrazin-2-yl-3,5,6-triazatricyclo[7.3.1.03,7]trideca-4,6-diene (PubChem CID 166389569) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-pyrazin-2-yl-3,5,6-triazatricyclo[7.3.1.03,7]trideca-4,6-diene.

Molecular Properties

Compound Name4-pyrazin-2-yl-3,5,6-triazatricyclo[7.3.1.03,7]trideca-4,6-diene
PubChem CID166389569
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name4-pyrazin-2-yl-3,5,6-triazatricyclo[7.3.1.03,7]trideca-4,6-diene
SMILESc1cnc(-c2nnc3n2CC2CCCC(C3)C2)cn1
InChIInChI=1S/C14H17N5/c1-2-10-6-11(3-1)9-19-13(7-10)17-18-14(19)12-8-15-4-5-16-12/h4-5,8,10-11H,1-3,6-7,9H2
InChIKeyCJXJHBBQMFPZRI-UHFFFAOYSA-N
XLogP2.10
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,7,8,9-Tetrahydro-3-(2-pyrazinyl)-5H-1,2,4-triazolo[4,3-a]azepine
CID 2331358
3-(3-methylpyrazin-2-yl)-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 167858259
10-Chloro-1-ethyl-5-methyl-3,4,6,9,11,13-hexazatetracyclo[11.5.0.02,6.07,12]octadeca-2,4,7,9,11-pentaene
CID 87423073
8-(azepan-1-ylmethyl)-3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 12143100
N,N-dimethyl-3-pyrazin-2-ylspiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,4'-piperidine]-1'-sulfonamide
CID 132335993
2-[3-(cyclohexylmethyl)-5-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-triazol-1-yl]-N,N-dimethylethanamine
CID 166320988
4-(1-Methyltriazol-4-yl)-3,5,6-triazatricyclo[7.3.1.03,7]trideca-4,6-diene
CID 167862794

Frequently Asked Questions

What is the IUPAC name of 4-pyrazin-2-yl-3,5,6-triazatricyclo[7.3.1.03,7]trideca-4,6-diene?
The IUPAC name of 4-pyrazin-2-yl-3,5,6-triazatricyclo[7.3.1.03,7]trideca-4,6-diene (CID 166389569) is 4-pyrazin-2-yl-3,5,6-triazatricyclo[7.3.1.03,7]trideca-4,6-diene.
What is the SMILES notation for 4-pyrazin-2-yl-3,5,6-triazatricyclo[7.3.1.03,7]trideca-4,6-diene?
The canonical SMILES for 4-pyrazin-2-yl-3,5,6-triazatricyclo[7.3.1.03,7]trideca-4,6-diene is c1cnc(-c2nnc3n2CC2CCCC(C3)C2)cn1.
What is the InChIKey of 4-pyrazin-2-yl-3,5,6-triazatricyclo[7.3.1.03,7]trideca-4,6-diene?
The InChIKey is CJXJHBBQMFPZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-2-10-6-11(3-1)9-19-13(7-10)17-18-14(19)12-8-15-4-5-16-12/h4-5,8,10-11H,1-3,6-7,9H2.
What are the key properties of 4-pyrazin-2-yl-3,5,6-triazatricyclo[7.3.1.03,7]trideca-4,6-diene?
4-pyrazin-2-yl-3,5,6-triazatricyclo[7.3.1.03,7]trideca-4,6-diene has a molecular weight of 255.32 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazin-2-yl-3,5,6-triazatricyclo[7.3.1.03,7]trideca-4,6-diene is sourced from PubChem (CID 166389569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).