2-(2-pentyltetrazol-5-yl)-1,10-phenanthroline

C18H18N6 — CID 102075852

IUPAC2-(2-pentyltetrazol-5-yl)-1,10-phenanthroline
SMILESCCCCCn1nnc(-c2ccc3ccc4cccnc4c3n2)n1
InChIInChI=1S/C18H18N6/c1-2-3-4-12-24-22-18(21-23-24)15-10-9-14-8-7-13-6-5-11-19-16(13)17(14)20-15/h5-11H,2-4,12H2,1H3
InChIKeyANMOJETWEHDYGY-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.63
Rot. Bonds5

About 2-(2-pentyltetrazol-5-yl)-1,10-phenanthroline

2-(2-pentyltetrazol-5-yl)-1,10-phenanthroline (PubChem CID 102075852) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-(2-pentyltetrazol-5-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(2-pentyltetrazol-5-yl)-1,10-phenanthroline
PubChem CID102075852
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name2-(2-pentyltetrazol-5-yl)-1,10-phenanthroline
SMILESCCCCCn1nnc(-c2ccc3ccc4cccnc4c3n2)n1
InChIInChI=1S/C18H18N6/c1-2-3-4-12-24-22-18(21-23-24)15-10-9-14-8-7-13-6-5-11-19-16(13)17(14)20-15/h5-11H,2-4,12H2,1H3
InChIKeyANMOJETWEHDYGY-UHFFFAOYSA-N
XLogP3.63
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-heptyl-1,10-phenanthroline
CID 150280165
2-(4-butyl-2-pyridinyl)-1,10-phenanthroline
CID 160519522
2-[1-(1,10-phenanthrolin-2-yl)pentyl]-1,10-phenanthroline
CID 139174663
2-[3,4-dibutyl-5-[5-[3,4-dibutyl-5-(1,10-phenanthrolin-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1,10-phenanthroline
CID 11520712
2-[3-methyl-5-(1,10-phenanthrolin-2-yl)phenyl]-9-[3-(1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 144635240
2,9-bis[3-diethylphosphoryl-5-(1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 118445514
2-(4-bromophenyl)-1,10-phenanthroline
CID 160537986
8-(4-pentylpiperazin-1-yl)quinoline
CID 20649338
1,1-bis(1,10-phenanthrolin-2-yl)pentan-1-ol
CID 139174658
2-(8-ethylquinolin-5-yl)-1,10-phenanthroline
CID 145451181
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049

Frequently Asked Questions

What is the IUPAC name of 2-(2-pentyltetrazol-5-yl)-1,10-phenanthroline?
The IUPAC name of 2-(2-pentyltetrazol-5-yl)-1,10-phenanthroline (CID 102075852) is 2-(2-pentyltetrazol-5-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-(2-pentyltetrazol-5-yl)-1,10-phenanthroline?
The canonical SMILES for 2-(2-pentyltetrazol-5-yl)-1,10-phenanthroline is CCCCCn1nnc(-c2ccc3ccc4cccnc4c3n2)n1.
What is the InChIKey of 2-(2-pentyltetrazol-5-yl)-1,10-phenanthroline?
The InChIKey is ANMOJETWEHDYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-2-3-4-12-24-22-18(21-23-24)15-10-9-14-8-7-13-6-5-11-19-16(13)17(14)20-15/h5-11H,2-4,12H2,1H3.
What are the key properties of 2-(2-pentyltetrazol-5-yl)-1,10-phenanthroline?
2-(2-pentyltetrazol-5-yl)-1,10-phenanthroline has a molecular weight of 318.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pentyltetrazol-5-yl)-1,10-phenanthroline is sourced from PubChem (CID 102075852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).