(5-chloro-2-methoxyphenyl)methyl-methyl-[(5-oxo-4-phenyltetrazol-1-yl)methyl]azanium

C17H19ClN5O2+ — CID 9332981

IUPAC(5-chloro-2-methoxyphenyl)methyl-methyl-[(5-oxo-4-phenyltetrazol-1-yl)methyl]azanium
SMILESCOc1ccc(Cl)cc1C[NH+](C)Cn1nnn(-c2ccccc2)c1=O
InChIInChI=1S/C17H18ClN5O2/c1-21(11-13-10-14(18)8-9-16(13)25-2)12-22-17(24)23(20-19-22)15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3/p+1
InChIKeyOSWZUDDMAZOKLR-UHFFFAOYSA-O
MW360.83 g/mol
LogP0.76
Rot. Bonds6

About (5-chloro-2-methoxyphenyl)methyl-methyl-[(5-oxo-4-phenyltetrazol-1-yl)methyl]azanium

(5-chloro-2-methoxyphenyl)methyl-methyl-[(5-oxo-4-phenyltetrazol-1-yl)methyl]azanium (PubChem CID 9332981) has the molecular formula C17H19ClN5O2+ and a molecular weight of 360.83 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methyl-methyl-[(5-oxo-4-phenyltetrazol-1-yl)methyl]azanium.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methyl-methyl-[(5-oxo-4-phenyltetrazol-1-yl)methyl]azanium
PubChem CID9332981
Molecular FormulaC17H19ClN5O2+
Molecular Weight360.83 g/mol
Exact Mass360.12
IUPAC Name(5-chloro-2-methoxyphenyl)methyl-methyl-[(5-oxo-4-phenyltetrazol-1-yl)methyl]azanium
SMILESCOc1ccc(Cl)cc1C[NH+](C)Cn1nnn(-c2ccccc2)c1=O
InChIInChI=1S/C17H18ClN5O2/c1-21(11-13-10-14(18)8-9-16(13)25-2)12-22-17(24)23(20-19-22)15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3/p+1
InChIKeyOSWZUDDMAZOKLR-UHFFFAOYSA-O
XLogP0.76
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.83
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-benzyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium
CID 9332501
(5-chloro-2-methoxyphenyl)methyl-methyl-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]azanium
CID 9332541
1-[(5-chloro-2-methoxyphenyl)methyl]-4-thiophen-2-yltetrazol-5-one
CID 43037174
(5-chloro-2-methoxyphenyl)methyl-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium
CID 9332428
(5-chloro-2-methoxyphenyl)methyl-[(3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium
CID 9332924
5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(3-chlorophenyl)tetrazole
CID 8861158
1-[2-(3-chlorophenoxy)ethyl]-4-phenyltetrazol-5-one
CID 18098879
(5-chloro-2-methoxyphenyl)methyl-methyl-[[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium
CID 9332435
(5-chloro-2-methoxyphenyl)methyl-methyl-[[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium
CID 9332785
[3-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]-phenylmethanone
CID 11163239
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 9136710
4-chloro-2-(fluoromethyl)-1-methoxybenzene
CID 142810663

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methyl-methyl-[(5-oxo-4-phenyltetrazol-1-yl)methyl]azanium?
The IUPAC name of (5-chloro-2-methoxyphenyl)methyl-methyl-[(5-oxo-4-phenyltetrazol-1-yl)methyl]azanium (CID 9332981) is (5-chloro-2-methoxyphenyl)methyl-methyl-[(5-oxo-4-phenyltetrazol-1-yl)methyl]azanium.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methyl-methyl-[(5-oxo-4-phenyltetrazol-1-yl)methyl]azanium?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methyl-methyl-[(5-oxo-4-phenyltetrazol-1-yl)methyl]azanium is COc1ccc(Cl)cc1C[NH+](C)Cn1nnn(-c2ccccc2)c1=O.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methyl-methyl-[(5-oxo-4-phenyltetrazol-1-yl)methyl]azanium?
The InChIKey is OSWZUDDMAZOKLR-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18ClN5O2/c1-21(11-13-10-14(18)8-9-16(13)25-2)12-22-17(24)23(20-19-22)15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3/p+1.
What are the key properties of (5-chloro-2-methoxyphenyl)methyl-methyl-[(5-oxo-4-phenyltetrazol-1-yl)methyl]azanium?
(5-chloro-2-methoxyphenyl)methyl-methyl-[(5-oxo-4-phenyltetrazol-1-yl)methyl]azanium has a molecular weight of 360.83 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)methyl-methyl-[(5-oxo-4-phenyltetrazol-1-yl)methyl]azanium is sourced from PubChem (CID 9332981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).