4-methyl-2,6-bis(1,4,7-triazonan-1-yl)phenol

C19H34N6O — CID 102312654

IUPAC4-methyl-2,6-bis(1,4,7-triazonan-1-yl)phenol
SMILESCc1cc(N2CCNCCNCC2)c(O)c(N2CCNCCNCC2)c1
InChIInChI=1S/C19H34N6O/c1-16-14-17(24-10-6-20-2-3-21-7-11-24)19(26)18(15-16)25-12-8-22-4-5-23-9-13-25/h14-15,20-23,26H,2-13H2,1H3
InChIKeyKIZCRBNGKGUQBS-UHFFFAOYSA-N
MW362.52 g/mol
LogP-0.30
Rot. Bonds2

About 4-methyl-2,6-bis(1,4,7-triazonan-1-yl)phenol

4-methyl-2,6-bis(1,4,7-triazonan-1-yl)phenol (PubChem CID 102312654) has the molecular formula C19H34N6O and a molecular weight of 362.52 g/mol. Its IUPAC name is 4-methyl-2,6-bis(1,4,7-triazonan-1-yl)phenol.

Molecular Properties

Compound Name4-methyl-2,6-bis(1,4,7-triazonan-1-yl)phenol
PubChem CID102312654
Molecular FormulaC19H34N6O
Molecular Weight362.52 g/mol
Exact Mass362.28
IUPAC Name4-methyl-2,6-bis(1,4,7-triazonan-1-yl)phenol
SMILESCc1cc(N2CCNCCNCC2)c(O)c(N2CCNCCNCC2)c1
InChIInChI=1S/C19H34N6O/c1-16-14-17(24-10-6-20-2-3-21-7-11-24)19(26)18(15-16)25-12-8-22-4-5-23-9-13-25/h14-15,20-23,26H,2-13H2,1H3
InChIKeyKIZCRBNGKGUQBS-UHFFFAOYSA-N
XLogP-0.30
TPSA74.83 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 5-0.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-2-nitro-6-piperazin-1-ylphenol
CID 4738823
4,15-dimethyl-1,8,11,18,21,27-hexazatetracyclo[16.6.6.12,6.113,17]dotriaconta-2,4,6(32),7,11,13(31),14,16-octaene-31,32-diol
CID 136671865
4,5-dimethyl-2-piperazin-1-ylphenol
CID 82610692
4,19-dimethyl-1,8,15,22,25,31-hexazapentacyclo[20.6.6.12,6.117,21.09,14]hexatriaconta-2,4,6(36),7,9,11,13,15,17(35),18,20-undecaene-35,36-diol
CID 136671868
2-chloro-3,6-dimethyl-5-piperazin-1-ylphenol
CID 84800718
4-methyl-2-piperazin-1-ylbenzenesulfonic acid
CID 86209737
1-(2,5-dimethyl-3-nitrophenyl)piperazine
CID 4738795
2-bromo-4-methyl-6-pyrrolidin-1-ylphenol
CID 168513520
5-methyl-2-piperazin-1-ylaniline
CID 62137468
1-(2,6-dichloro-4-methylphenyl)piperazine
CID 166899180
dizinc;8,28-dimethyl-1,4,12,15,18,21,24,32,35,38-decazapentacyclo[33.5.2.215,21.16,10.126,30]hexatetraconta-6,8,10(46),26(43),27,29-hexaene-43,46-diol
CID 6395176
1-(4,5-difluoro-2-methylphenyl)piperazine
CID 84782277

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-bis(1,4,7-triazonan-1-yl)phenol?
The IUPAC name of 4-methyl-2,6-bis(1,4,7-triazonan-1-yl)phenol (CID 102312654) is 4-methyl-2,6-bis(1,4,7-triazonan-1-yl)phenol.
What is the SMILES notation for 4-methyl-2,6-bis(1,4,7-triazonan-1-yl)phenol?
The canonical SMILES for 4-methyl-2,6-bis(1,4,7-triazonan-1-yl)phenol is Cc1cc(N2CCNCCNCC2)c(O)c(N2CCNCCNCC2)c1.
What is the InChIKey of 4-methyl-2,6-bis(1,4,7-triazonan-1-yl)phenol?
The InChIKey is KIZCRBNGKGUQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O/c1-16-14-17(24-10-6-20-2-3-21-7-11-24)19(26)18(15-16)25-12-8-22-4-5-23-9-13-25/h14-15,20-23,26H,2-13H2,1H3.
What are the key properties of 4-methyl-2,6-bis(1,4,7-triazonan-1-yl)phenol?
4-methyl-2,6-bis(1,4,7-triazonan-1-yl)phenol has a molecular weight of 362.52 g/mol, XLogP of -0.30, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-bis(1,4,7-triazonan-1-yl)phenol is sourced from PubChem (CID 102312654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).